Chemical Properties of Propane, 1-(ethylthio)-2-methyl- (CAS 1613-45-2)

InChI

InChI=1S/C6H14S/c1-4-7-5-6(2)3/h6H,4-5H2,1-3H3

InChI Key

OIRKGXWQBSPXLQ-UHFFFAOYSA-N

Formula

C6H14S

SMILES

CCSCC(C)C

Molecular Weight¹

118.24

CAS

1613-45-2

Other Names

• Sulfide, ethyl isobutyl
• Ethyl isobutyl sulfide
• (2-Methylpropyl) ethyl sulfide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	30.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-130.58	kJ/mol	Joback Calculated Property
ΔfusH°	11.90	kJ/mol	Joback Calculated Property
ΔvapH°	35.38	kJ/mol	Joback Calculated Property
log10WS	-1.98		Crippen Calculated Property
logPoct/wat	2.396		Crippen Calculated Property
McVol	111.750	ml/mol	McGowan Calculated Property
Pc	3195.54	kPa	Joback Calculated Property
Inp	[842.00; 854.00]
Inp	850.00		NIST
Inp	842.00		NIST
Inp	848.00		NIST
Inp	850.00		NIST
Inp	850.00		NIST
Inp	854.00		NIST
Tboil	407.40 ± 0.40	K	NIST
Tc	598.38	K	Joback Calculated Property
Tfus	176.78	K	Joback Calculated Property
Vc	0.419	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.46; 270.69]	J/mol×K	[405.02; 598.38]
Cp,gas	206.46	J/mol×K	405.02	Joback Calculated Property
Cp,gas	218.30	J/mol×K	437.25	Joback Calculated Property
Cp,gas	229.68	J/mol×K	469.47	Joback Calculated Property
Cp,gas	240.61	J/mol×K	501.70	Joback Calculated Property
Cp,gas	251.08	J/mol×K	533.93	Joback Calculated Property
Cp,gas	261.10	J/mol×K	566.16	Joback Calculated Property
Cp,gas	270.69	J/mol×K	598.38	Joback Calculated Property
ΔvapH	[39.20; 41.30]	kJ/mol	[353.00; 379.50]
ΔvapH	41.30	kJ/mol	353.00	NIST
ΔvapH	39.20	kJ/mol	379.50	NIST

Similar Compounds

Find more compounds similar to Propane, 1-(ethylthio)-2-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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