propane

• ChemBase ID: 129125
• Molecular Formular: C3H8
• Molecular Mass: 44.09562
• Monoisotopic Mass: 44.06260026
• SMILES: CCC
• Canonical SMILES: CCC
• InChI: InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
• InChIKey: ATUOYWHBWRKTHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propane
• IUPAC Traditional name: propane
• Synonyms: Propane; Propane; 丙烷

Database IDs

• CAS Number: 74-98-6
• EC Number: 200-827-9
• MDL Number: MFCD00009359
• Beilstein Number: 1730718
• PubChem SID: 24857802; 24859134; 162223424; 24878140
• PubChem CID: 6334
• CHEBI ID: 32879
• CHEMBL: 135416
• Chemspider ID: 6094
• Gmelin ID: 25044
• KEGG ID: D05625
• Unique Ingredient Identifier: T75W9911L6
• Wikipedia Title: Propane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.797432
• LogD (pH = 7.4): 1.797432
• Log P: 1.797432
• Molar Refractivity: 15.6052 cm^3
• Polarizability: 6.2897286 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 40 mg L^-1 (at 0 °C) in water
• Apperance: Colorless gas
• Melting Point: -187.65°C (85.5K); -188 °C(lit.)
• Boiling Point: -42.1 °C(lit.); -42.25 - -42.04°C (230.9 - 231.11 K)
• Flash Point: -104 °C; -155.2 °F
• Auto Ignition Point: 540 °C; 842 °F
• Density: 1.55 g/mL at 25 °C(lit.); 2.0098 mg mL^-1 (at 0 °C, 101.3 kPa)
• Vapor Pressure: 190 psi ( 37.7 °C); 8.42 atm ( 21.1 °C); 853.16 kPa (at 21.1 °C)
• Vapor Density: 1.5 (vs air)
• Partition Coefficient: 2.236
• Henry Constant: 15 nmol Pa^-1 kg^-1
• Odor: Odorless
• Heat Capacity: 73.60 J K^-1 mol^-1
• Std enthalpy of combustion: -2.2197–-2.2187 MJ mol^-1
• Std enthalpy of formation: -105.2–-104.2 kJ mol^-1

Safety Information

• RTECS: TX2275000
• European Hazard Symbols: Highly flammable (F+)
• UN Number: 1978
• German water hazard class: nwg
• Hazard Class: 2.1
• Risk Statements: 12; R12
• Safety Statements: 9-16; S2, S16
• EU Index: 601-003-00-5
• GHS Pictograms: GHS flame; GHS02; GHS04
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  4

  1

  0
• Explode Limits: 2.37–9.5%; 9.5 %
• GHS Hazard statements: 220; H220-H280
• GHS Precautionary statements: 210; P210-P410 + P403
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1978 2.1

Product Information

• Purity: 98%; 99.97%
• Linear Formula: CH3CH2CH3

DETAILS

Sigma Aldrich - 295655

Packaging
100, 300 g in Sure-Pac™
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.

Sigma Aldrich - 318574

General description
Contains fuel for 15 hours

Sigma Aldrich - 536172

Packaging
145 g in steel cylinder
Recommended products
Brass control valve Z146943 or either of brass regulators Z146706 and Z146714 is recommended.