헥사데케인

헥사데케인 · 헥사데칸 · 세탄 · 디옥틸 · N-헥사데칸 · 헥사데칸무수물 · HEXADECANE · N-HEXADECANE

https://huagongshe.com/ko/chemical/11006

식별자 및 물리적 특성

CAS No.	544-76-3
분자식	C16H34
평균 분자량	226.44 g/mol
단동위원소 질량	226.26605109 g/mol
SMILES	CCCCCCCCCCCCCCCC
InChIKey	DCAYPVUWAIABOU-UHFFFAOYSA-N
PubChem CID	11006
ChEMBL	CHEMBL134994
ChEBI	CHEBI:45296
EC No.	208-878-9
DTXSID	DTXSID0027195
현지명	헥사데케인

화학 및 물리적 성질

XLogP	8.3
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	13
무거운 원자 수	16
형식 전하	0
복잡도	92.6
물질 분류	Other Classes -> Aliphatics, Saturated (>C11)n-Alkane
지질	Fatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials Properties	Gibbs energy
향료	Fragrance Ingredient (Hexadecane) -> IFRA transparency List
냄새	Odorless (without any specific odor)
밀도	0.77331 at 68 °F (NTP, 1992) - Less dense than waterwill float0.7701 g/cu cm at 25 °C0.77335 @25 °C0.773 g/mL at 25 °C(lit.)
Viscosity	3.474 mPa s at 20 °C
Color/Form	Colorless liquidLeaflets from acetone
용해도	In water, 2.1X10-5 mg/L at 25 °CSolubility sea water: 0.00004 mg/L at 25 °CInsoluble in waterslightly soluble in ethanolsoluble/miscible in ether, carbon tetrachloride9e-07 mg/mL at 25 °C알코올, 아세톤, 에테르에 용해됩니다.
인화점	275 °F (NTP, 1992)Flash point equals 275 °F>212 °F (>100 °C)135 °C (275 °F) - closed cup
끓는 점	549 °F at 760 mmHg (NTP, 1992)boiling point equals 549 °F286.9 °C286.00 to 287.00 °C. @ 760.00 mm Hg286.5 °C @760 [mm Hg]287 °C(lit.)
Decomposition	When heated to decomposition it emits acrid smoke and irritating vapors.
녹는점	18 °C(lit.)
증기 밀도	7.8 (vs air)
증기압	1 mm Hg ( 105.3 °C)
굴절률	n20/D 1.434(lit.)
저장 조건	Store below +30°C.
물리적 상태	액체
비중	0.775 (25/4℃)
색상	무색의
용해도	이 제품은 아세톤, 알코올, 에테르에 용해됩니다. 물에는 녹지 않습니다. 알코올, 아세톤, 클로로포름, 에테르에는 녹습니다. 물에 불용성
비열	Cp(liquid): 2.22 J/(g·K), at 25℃
BRN	1736592
헨리 상수	2.1×10-5 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
안정성	안정적인. 피해야 할 물질에는 강한 산화제가 포함됩니다. 타기 쉬운. 흡습성.
화장품 원료 기능	피부 컨디셔닝 - 보습제
InChI	1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey	DCAYPVUWAIABOU-UHFFFAOYSA-N
SMILES	CCCCCCCCCCCCCCCC
LogP(분배 계수)	8.2 at 25℃
표면장력	27.57mN/m at 293.15K
EPA	Hexadecane (544-76-3)

화학적 성질

colourless liquid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 0.1% (2 of 1815) of reports.DangerH304 (96.9%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]P301+P316, P331, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1815 reports by companies from 13 notifications to the ECHA C&L Inventory.Warning
규제 정보	Chemical: HexadecaneHexadecane is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexadecane 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: 17-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12643Hexadecane: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Hexadecane: Human health tier I assessment
화재 위험	Combustible. (NTP, 1992)
건강 유해성	ACUTE/CHRONIC HAZARDS: Flammable. (NTP, 1992)
유해성 요약	A skin irritantMay cause narcosis after prolonged exposure[MSDSonline]
반응성 그룹	Hydrocarbons, Aliphatic Saturated
Reactivity Profile	Saturated aliphatic hydrocarbons, such as N-HEXADECANE, may be incompatible with strong oxidizing agents like nitric acid. Charring of the hydrocarbon may occur followed by ignition of unreacted hydrocarbon and other nearby combustibles. In other settings, aliphatic saturated hydrocarbons are mostly unreactive. They are not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents. When heated sufficiently or when ignited in the presence of air, oxygen or strong oxidizing agents, they burn exothermically to produce carbon dioxide and water.
Air and Water Reactions	Flammable. Insoluble in water.
NFPA Hazard Classification	1 - Materials that, under emergency conditions, can cause significant irritation.

용도

개요

헥사데케인알케인의 일종으로 세탄/세테인(Cetane)이라고 불리기도 한다. 화학식은 C16H34. 어는점이 18℃[1]여서 상온에서는 액체와 고체 사이를 오간다.

용도

경유에 많이 함유되어 있으며, 경유의 질을 비교하는 세탄가의 기준 물질이다. 100% n-헥사디케인을 100으로 잡으며, α-메틸나프탈렌을 0으로 잡는다. 참고로 헥사디케인의 옥탄가는 -30. 휘발유용 엔진에 넣기에는 영 좋지 않다. 반대로 휘발유를 경유용 엔진에 넣어도 마찬가지.

개요

Hexadecane (also known as n-hexadecane) can be used as a phase-change material (PCM) for thermal energy storage. PCM-16 macromolecular capsules prepared from hexadecane hold potential for application in thermal packaging, construction and protective clothing. Their basic physical properties are as follows[1]:

용도

Hexadecane is a component of gasoline, and is used as a solvent, organic intermediate, ignition standard for diesel fuels, and as stock for hydrocracking processes.

일반 설명

Colorless liquid.