Chemical Properties of 3-(allylthio)propanol

InChI

InChI=1S/C6H12OS/c1-2-5-8-6-3-4-7/h2,7H,1,3-6H2

InChI Key

HTKIDHNLOHZPEP-UHFFFAOYSA-N

Formula

C6H12OS

SMILES

C=CCSCCCO

Molecular Weight¹

132.22

• 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).
• 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.
• I : 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°	-16.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-152.10	kJ/mol	Joback Calculated Property
ΔfusH°	18.23	kJ/mol	Joback Calculated Property
ΔvapH°	51.78	kJ/mol	Joback Calculated Property
log10WS	-1.34		Crippen Calculated Property
logPoct/wat	1.288		Crippen Calculated Property
McVol	113.320	ml/mol	McGowan Calculated Property
Pc	3704.46	kPa	Joback Calculated Property
Inp	[1036.00; 1052.00]
Inp	1052.00		NIST
Inp	1052.00		NIST
Inp	1036.00		NIST
I	[1745.00; 1745.00]
I	1745.00		NIST
I	1745.00		NIST
Tboil	494.32	K	Joback Calculated Property
Tc	678.29	K	Joback Calculated Property
Tfus	250.84	K	Joback Calculated Property
Vc	0.425	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[237.20; 287.64]	J/mol×K	[494.32; 678.29]
Cp,gas	237.20	J/mol×K	494.32	Joback Calculated Property
Cp,gas	246.62	J/mol×K	524.98	Joback Calculated Property
Cp,gas	255.61	J/mol×K	555.64	Joback Calculated Property
Cp,gas	264.20	J/mol×K	586.30	Joback Calculated Property
Cp,gas	272.40	J/mol×K	616.97	Joback Calculated Property
Cp,gas	280.21	J/mol×K	647.63	Joback Calculated Property
Cp,gas	287.64	J/mol×K	678.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(allylthio)propanol.

Sources

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

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