Chemical Properties of 3-Mercapto-2-methylpropanol (CAS 56160-79-3)

InChI

InChI=1S/C4H10OS/c1-4(2-5)3-6/h4-6H,2-3H2,1H3

InChI Key

FCIVYWQHILCTLI-UHFFFAOYSA-N

Formula

C4H10OS

SMILES

CC(CO)CS

Molecular Weight¹

106.19

CAS

56160-79-3

Other Names

• 1-Propanol, 2-methyl-3-mercapto
• 2-Methyl-3-mercapto-1-propanol
• 2-Methyl-3-sulfanyl-propan-1-ol
• 3-Mercapto-2-methyl-1-propanol

• 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°	-127.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-244.92	kJ/mol	Joback Calculated Property
ΔfusH°	10.72	kJ/mol	Joback Calculated Property
ΔvapH°	47.53	kJ/mol	Joback Calculated Property
log10WS	-0.59		Crippen Calculated Property
logPoct/wat	0.545		Crippen Calculated Property
McVol	89.440	ml/mol	McGowan Calculated Property
Pc	4835.95	kPa	Joback Calculated Property
Inp	[920.00; 940.00]
Inp	921.00		NIST
Inp	Outlier 940.00		NIST
Inp	922.00		NIST
Inp	921.00		NIST
Inp	920.00		NIST
Inp	920.00		NIST
I	[1677.00; 1708.00]
I	1708.00		NIST
I	1677.00		NIST
I	1692.00		NIST
I	1698.00		NIST
Tboil	445.52	K	Joback Calculated Property
Tc	633.53	K	Joback Calculated Property
Tfus	217.12	K	Joback Calculated Property
Vc	0.327	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.64; 216.27]	J/mol×K	[445.52; 633.53]
Cp,gas	173.64	J/mol×K	445.52	Joback Calculated Property
Cp,gas	181.58	J/mol×K	476.85	Joback Calculated Property
Cp,gas	189.18	J/mol×K	508.19	Joback Calculated Property
Cp,gas	196.43	J/mol×K	539.52	Joback Calculated Property
Cp,gas	203.36	J/mol×K	570.86	Joback Calculated Property
Cp,gas	209.97	J/mol×K	602.19	Joback Calculated Property
Cp,gas	216.27	J/mol×K	633.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Mercapto-2-methylpropanol.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.