Chemical Properties of 2-Methylmercaptomethyl-2-butenal

InChI

InChI=1S/C6H10OS/c1-3-6(4-7)5-8-2/h3-4H,5H2,1-2H3/b6-3-

InChI Key

IBSLHWQWKUNIJE-UTCJRWHESA-N

Formula

C6H10OS

SMILES

CC=C(C=O)CSC

Molecular Weight¹

130.21

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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 : 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
ω	0.3412		Relay (... Calculated Property
ΔfG°	4.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-114.28	kJ/mol	Relay (... Calculated Property
ΔfusH°	16.61	kJ/mol	Joback Calculated Property
ΔvapH°	52.86	kJ/mol	Relay (... Calculated Property
IE	8.96	eV	Relay (... Calculated Property
log10WS	-0.50		Relay (... Calculated Property
logPoct/wat	1.495		Crippen Calculated Property
McVol	109.020	ml/mol	McGowan Calculated Property
Pc	3690.97	kPa	Joback Calculated Property
I	[1713.00; 1713.00]
I	1713.00		NIST
I	1713.00		NIST
Tboil	475.08	K	Relay (... Calculated Property
Tc	696.54	K	Relay (... Calculated Property
Tfus	236.26	K	Relay (... Calculated Property
Vc	0.364	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.32; 261.64]	J/mol×K	[458.16; 667.40]
Cp,gas	208.32	J/mol×K	458.16	Joback Calculated Property
Cp,gas	218.50	J/mol×K	493.03	Joback Calculated Property
Cp,gas	228.13	J/mol×K	527.91	Joback Calculated Property
Cp,gas	237.24	J/mol×K	562.78	Joback Calculated Property
Cp,gas	245.85	J/mol×K	597.65	Joback Calculated Property
Cp,gas	253.98	J/mol×K	632.53	Joback Calculated Property
Cp,gas	261.64	J/mol×K	667.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylmercaptomethyl-2-butenal.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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