네오펜탄

네오펜탄 · 2,2-디메틸프로판 · Neopentane · dimethylpropane · Neopentan · Dimethylpropanol · Neo-C5H12 · New pentane

https://huagongshe.com/ko/chemical/10041

식별자 및 물리적 특성

CAS No.	463-82-1
분자식	C5H12
평균 분자량	72.15 g/mol
단동위원소 질량	72.09390038 g/mol
SMILES	CC(C)(C)C
InChIKey	CRSOQBOWXPBRES-UHFFFAOYSA-N
PubChem CID	10041
ChEBI	CHEBI:30358
EC No.	207-343-7
DTXSID	DTXSID6029179
현지명	네오펜탄

화학 및 물리적 성질

XLogP	2.5
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	0
무거운 원자 수	5
형식 전하	0
복잡도	15.5
물질 분류	Flammable agents - 4th degree
Solvents	Solvents -> Aliphatics, Saturated (<C12)
SpringerMaterials Properties	Schoenflies notation
LogP(분배 계수)	log Kow = 3.11
냄새	Gasoline-like odor
밀도	0.591 at 20 °C/4 °CDensity = 0.5852 at 25 °C, pressure > 1 atmCritical density = 237.7 kg/cu mDensity (at 20 °C): 0.61 g/cm³0.613 @ 0°Cd00 0.613 (liq)
Color/Form	Colorless gas or very volatile liquid
용해도	In water, 33.2 mg/L at 25 °CSoluble in ethyl alcohol, ethyl ether, carbon tetrachlorideSolubility in water: none알코올과 에테르에 용해됩니다(Weast, 1986).
인화점	less than 19.4 °F
끓는 점	9.5 °C9.5 °C @760 [mm Hg]bp 9.5°
Decomposition	When heated to decomposition it emits acrid smoke and irritating fumes.
녹는점	-16.37 °C-16.6 °C-19.8°
증기압	1,074.43 at 19.492 °C, 1,267.75 at 24.560 °C (ebulliometry, Osborn and Douslin, 1974)
굴절률	1.3390
pKa(산도 계수)	>14 (Schwarzenbach et al., 1993)
용해도	25°C에서 33.2 mg/kg(진탕 플라스크-GC, McAuliffe, 1966)
헨리 상수	3.70(atmm3/mol) at 25 °C (Mackay and Shiu, 1981)
유전율	1.9099999999999999
InChI	InChI=1S/C5H12/c1-5(2,3)4/h1-4H3
InChIKey	CRSOQBOWXPBRES-UHFFFAOYSA-N
SMILES	CC(C)(C)C
EPA	2,2-Dimethylpropane (463-82-1)

화학적 성질

2,2-Dimethylpropane, C5H12, is a flammable liquid and is physically similar to butane. It is an important component of petroleum fuel mixtures.

안전 및 규제

RCRA 요건
GHS 분류	DangerH220: Extremely flammable gas [Danger Flammable gases]P203, P210, P222, P273, P280, P377, P381, P391, P403, and P501 (click each P-code to see the statement)H220 (99.4%): Extremely flammable gas [Danger Flammable gases]P203, P210, P222, P273, P280, P377, P381, P391, P403, P410+P403, and P501 (click each P-code to see the statement)
규제 정보	Chemical: Propane, 2,2-dimethyl-Propane, 2,2-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propane, 2,2-dimethyl- 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)Propane, 2,2-dimethyl- (neopentane): HSNO Approval: HSR000997 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 Gas
화재 위험	Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]:· EXTREMELY FLAMMABLE.Extremely flammable. Gas/air mixtures are explosive.
화재 가능성	Both the gas and the liquid are flammable when exposed to heat or flamecan react vigorously with oxidizing materials.
건강 유해성	Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]:· Vapors may cause dizziness or asphyxiation without warning, especially when in closed or confined areas.
유해성 요약	Narcosis and irritation are Critical Effects. [ACGIH] See n-Pentane.
운송 번호 및 가이드(DOT)	2044 115
반응성 그룹	Hydrocarbons, Aliphatic Saturated
EC 분류	Symbol: F+, NR: 12-51/53S: (2)-9-16-33-61
UN 분류	UN Hazard Class: 2.1

용도

2,2-Dimethylpropane is manufactured by petroleum refining operations. It is used as a chemical intermediate for agricultural chemicals, and as a component of high-octane motor and aviation fuels.

일반 설명

Boiling point 40°F. May liquefy in cool or cold weather. Less dense than water. Flash point -85°F. Autoignition temperature 842°F. Insoluble in water but soluble in alcohol. Under prolonged exposure to fire or heat, the containers may rupture violently and rocket.