Chemical Properties of 2-[But-2-enylthio]ethanal

InChI

InChI=1S/C6H10OS/c1-2-3-5-8-6-4-7/h2-4H,5-6H2,1H3/b3-2+

InChI Key

ONEQLHKTAKJQBB-NSCUHMNNSA-N

Formula

C6H10OS

SMILES

CC=CCSCC=O

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 : 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°	13.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-93.66	kJ/mol	Joback Calculated Property
ΔfusH°	17.92	kJ/mol	Joback Calculated Property
ΔvapH°	42.45	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	3668.65	kPa	Joback Calculated Property
I	[1605.00; 1605.00]
I	1605.00		NIST
I	1605.00		NIST
Tboil	458.28	K	Joback Calculated Property
Tc	663.42	K	Joback Calculated Property
Tfus	228.70	K	Joback Calculated Property
Vc	0.422	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.39; 261.02]	J/mol×K	[458.28; 663.42]
Cp,gas	208.39	J/mol×K	458.28	Joback Calculated Property
Cp,gas	218.41	J/mol×K	492.47	Joback Calculated Property
Cp,gas	227.90	J/mol×K	526.66	Joback Calculated Property
Cp,gas	236.89	J/mol×K	560.85	Joback Calculated Property
Cp,gas	245.40	J/mol×K	595.04	Joback Calculated Property
Cp,gas	253.43	J/mol×K	629.23	Joback Calculated Property
Cp,gas	261.02	J/mol×K	663.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-[But-2-enylthio]ethanal.

Sources

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

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