헵테인
노르말헵탄 · 노르말헵탄(NORMALHEPTANE) · 헵탄 · 헵테인 · 헵테인(헵탄) · n-헵탄 · N-HEPTANE · heptanes
식별자 및 물리적 특성
| CAS No. | 142-82-5 |
|---|---|
| 분자식 | C7H16 |
| 평균 분자량 | 100.2 g/mol |
| 단동위원소 질량 | 100.12520051 g/mol |
| SMILES | CCCCCCC |
| InChIKey | IMNFDUFMRHMDMM-UHFFFAOYSA-N |
| PubChem CID | 8900 |
| ChEMBL | CHEMBL134658 |
| ChEBI | CHEBI:43098 |
| EC No. | 205-563-8 |
| DTXSID | DTXSID6024127 |
| 현지명 | 헵테인 |
화학 및 물리적 성질
| XLogP | 4.4 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 19.2 |
| 물질 분류 | Flammable agents - 3rd degree |
| 지질 | Fatty Acyls [FA] -> Hydrocarbons [FA11] |
| Solvents | Solvents -> Aliphatics, Saturated (<C12) |
| 화장품 | SolventHair dyeing |
| SpringerMaterials Properties | Gibbs energy |
| 농약 | Pesticide -> EPA IRIS |
| LogP(분배 계수) | log Kow = 4.664.48 |
| 냄새 | Gasoline-like odor가솔린. |
| 밀도 | 0.6838 at 68 °F (USCG, 1999) - Less dense than waterwill float0.6795 g/cu cm at 25 °C% in saturated air: 6.3 at 25 °C, 760 mm Hgdensity of air saturated with vapor: 1.18 at 25 °C, 760 mm HgDensity (at 20 °C): 0.68 g/ml0.684 @25 °C0.684 g/mL at 20 °C |
| Color/Form | Colorless liquid |
| 용해도 | 0.0003 % (NIOSH, 2024)In water, 3.40 mg/L at 25 °CSoluble in carbon tetrachloridevery soluble in ethanolmiscible with ethyl ether, acetone, benzene, chloroform, and petroleum ether0.0034 mg/mL at 25 °CSolubility in water, mg/l at 25 °C: 2.2 (very poor)0.0003%아세톤: 혼화성(lit.) |
| Corrosivity | Passes ASTM D 130-30 test |
| 녹는점 | −91 °C(lit.) |
| 끓는 점 | 98 °C(lit.) |
| 증기 밀도 | 3.5 (vs air) |
| 증기압 | 40 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.397 |
| 인화점 | 30 °F |
| 저장 조건 | Store at +5°C to +30°C. |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | >14 (Schwarzenbach et al., 1993) |
| 비중 | 0.684 (20/4℃) |
| 색상 | ≤10(APHA) |
| 후각 역치 | 0.67ppm |
| 폭발한계 | 1-7%(V) |
| 용해도 | 실질적으로 불용성 |
| 비열 | Cp(liquid): 2.24 J/(g·K), at 25℃ |
| Merck | 14,4659 |
| BRN | 1730763 |
| 헨리 상수 | 0.901, 1.195, and 1.905(atmm3/mol) at 26.0, 35.8, and 45.0 °C, respectively (dynamic headspace, Hansen et al., 1995) |
| 유전율 | 1.9(20℃) |
| 안정성 | 안정적인. 산화제, 염소, 인과 호환되지 않습니다. 가연성이 높습니다. 공기와 쉽게 폭발성 혼합물을 형성합니다. |
| 주요 응용 | 미생물학 |
| 화장품 원료 기능 | 용제 |
| InChI | 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 |
| InChIKey | IMNFDUFMRHMDMM-UHFFFAOYSA-N |
| SMILES | CCCCCCC |
| LogP(분배 계수) | 4.660 |
| 표면장력 | 21.12mN/m at 293.15K |
| NIST | Heptane(142-82-5) |
| EPA | Heptane (142-82-5) |
| Absorption | 0.10 at 225nm0.40 at 210nm1.0 at 197nm |
화학적 성질
n-Heptane is a flammable liquid, present in crude oil and widely used in the auto- mobile industry. For example, as a solvent, as a gasoline knock testing standard, as automotive starter fl uid, and paraffi nic naphtha. n-Heptane causes adverse health effects in occupational workers, such as CNS depression, skin irritation, and pain. Other compounds such as n-octane (CH 3 (CH 2 ) 6 CH 3 ), n-nonane (CH 3 (CH 2 ) 7 CH 3 ), and n-decane (CH 3 (CH 2 ) 8 CH 3 ) have different industrial applications. Occupational workers exposed to these compounds also show adverse health effects. In principle, manage- ment of these aliphatic compounds requires proper handling and disposal to avoid health problems and to maintain chemical safety standards for safety to workers and the living environment.
안전 및 규제
| GHS 분류 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: HeptaneRegulation (EC) No 178/2002 (amended)Heptane is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Heptane are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 09-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14228Heptane: HSNO Approval: HSR001164 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | FLAMMABLE. Flashback along vapor trail may occur. Vapor may explode if ignited in an enclosed area. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Vapour/air mixtures are explosive. |
| 화재 가능성 | Highly flammable liquid and vapor. |
| 건강 유해성 | VAPOR: Not irritating to eyes, nose or throat. If inhaled, will cause coughing or difficult breathing. LIQUID: Irritating to skin and eyes. If swallowed, will cause nausea or vomiting. (USCG, 1999)CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. |
| 운송 번호 및 가이드(DOT) | 1206 128 |
| 반응성 그룹 | Hydrocarbons, Aliphatic Saturated |
| EC 분류 | Symbol: F, Xn, NR: 11-38-50/53-65-67S: (2)-9-16-29-33-60-61-62Note: C |
| UN 분류 |
용도
용도
1, 농약 중간체, 제약 중간체; 2, 전자 청소, 좋은 유기 합성 원료, 실험 시 약;의 준비의 모든 종류 3, 그것은 또한 청소 의료 및 전자 부품 산업에서 광범위 한 응용 프로그램이 있다.
용도
heptane is a solvent and viscosity-decreasing agent.
일반 설명
N-heptane is a clear colorless liquids with a petroleum-like odor. Flash point 25 °F. Less dense than water and insoluble in water. Vapors heavier than air.
제조 및 합성 방법
생산 방법
Heptane is produced in refining processes. Highly purified heptane is produced by adsorption of commercial heptane on molecular sieves.