Chemical Properties of 3-Mercaptopropionic acid (CAS 107-96-0)

InChI

InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)

InChI Key

DKIDEFUBRARXTE-UHFFFAOYSA-N

Formula

C3H6O2S

SMILES

O=C(O)CCS

Molecular Weight¹

106.14

CAS

107-96-0

Other Names

• 2-Mercaptoethanecarboxylic acid
• 3-Mercaptopropanoic acid
• 3-Thiolpropanoic acid
• 3-Thiopropanoic acid
• 3-Thiopropionic acid
• 3MPA
• Hydracrylic acid, 3-thio-
• Mercaptopropionic acid
• NSC 437
• Propanoic acid, 3-mercapto-
• Propionic acid, 3-mercapto-
• «beta»-Mercaptopropanoic acid
• «beta»-Mercaptopropionic acid
• «beta»-Thiopropionic acid
• «beta»-Mercaptopropanoic acid
• «beta»-Mercaptopropionic acid
• «beta»-Thiopropionic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fusH : Enthalpy of fusion at a given temperature (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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	-261.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-331.58	kJ/mol	Joback Calculated Property
ΔfusH°	13.25	kJ/mol	Joback Calculated Property
ΔvapH°	52.43	kJ/mol	Joback Calculated Property
log10WS	-0.25		Crippen Calculated Property
logPoct/wat	0.391		Crippen Calculated Property
McVol	76.920	ml/mol	McGowan Calculated Property
Pc	6037.30	kPa	Joback Calculated Property
Inp	[1057.00; 1057.00]
Inp	1057.00		NIST
Inp	1057.00		NIST
I	[2193.00; 2193.00]
I	2193.00		NIST
I	2193.00		NIST
S°liquid	228.90	J/mol×K	NIST
Tboil	476.95	K	Joback Calculated Property
Tc	673.43	K	Joback Calculated Property
Tfus	270.78	K	Joback Calculated Property
Vc	0.282	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[145.21; 175.36]	J/mol×K	[476.95; 673.43]
Cp,gas	145.21	J/mol×K	476.95	Joback Calculated Property
Cp,gas	150.89	J/mol×K	509.70	Joback Calculated Property
Cp,gas	156.30	J/mol×K	542.44	Joback Calculated Property
Cp,gas	161.44	J/mol×K	575.19	Joback Calculated Property
Cp,gas	166.33	J/mol×K	607.94	Joback Calculated Property
Cp,gas	170.96	J/mol×K	640.69	Joback Calculated Property
Cp,gas	175.36	J/mol×K	673.43	Joback Calculated Property
Cp,liquid	202.50	J/mol×K	299.80	NIST
ΔfusH	[16.97; 16.97]	kJ/mol	[291.90; 291.90]
ΔfusH	16.97	kJ/mol	291.90	NIST
ΔfusH	16.97	kJ/mol	291.90	NIST
ΔfusS	58.20	J/mol×K	291.90	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[358.70; 384.20]	K	[0.40; 2.00]
Tboilr	358.70	K	0.40	NIST
Tboilr	384.20	K	2.00	NIST

Similar Compounds

Find more compounds similar to 3-Mercaptopropionic acid.

Mixtures

• Trichloromethane + 3-Mercaptopropionic acid + Water

Sources

• Crippen Method
• Crippen Method
• Liquid-Liquid Equilibrium for the Ternary System of 3-Mercaptopropionic Acid + Water + Trichloromethane
• Joback Method
• McGowan Method
• NIST Webbook

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