Chemical Properties of (E)-2-(Methylthiomethyl)-2-butenal

InChI

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

InChI Key

IBSLHWQWKUNIJE-ZZXKWVIFSA-N

Formula

C6H10OS

SMILES

CC=C(C=O)CSC

Molecular Weight¹

130.21

• 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.
• 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°	4.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-103.45	kJ/mol	Joback Calculated Property
ΔfusH°	16.61	kJ/mol	Joback Calculated Property
ΔvapH°	42.53	kJ/mol	Joback Calculated Property
log10WS	-1.35		Crippen Calculated Property
logPoct/wat	1.495		Crippen Calculated Property
McVol	109.020	ml/mol	McGowan Calculated Property
Pc	3690.97	kPa	Joback Calculated Property
Inp	[1068.00; 1068.00]
Inp	1068.00		NIST
Inp	1068.00		NIST
Tboil	458.16	K	Joback Calculated Property
Tc	667.40	K	Joback Calculated Property
Tfus	214.74	K	Joback Calculated Property
Vc	0.423	m3/kmol	Joback 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 (E)-2-(Methylthiomethyl)-2-butenal.

Sources

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

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