Chemical Properties of «alpha»-Methyl crotonolactone

InChI

InChI=1S/C5H8O2/c1-3-4(2)7-5(3)6/h3-4H,1-2H3

InChI Key

IABBAPSDOJPBAF-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

CC1OC(=O)C1C

Molecular Weight¹

100.12

• 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°	-176.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-369.93	kJ/mol	Joback Calculated Property
ΔfusH°	13.30	kJ/mol	Joback Calculated Property
ΔvapH°	35.26	kJ/mol	Joback Calculated Property
log10WS	-0.54		Crippen Calculated Property
logPoct/wat	0.568		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan Calculated Property
Pc	4162.33	kPa	Joback Calculated Property
I	[1687.00; 1687.00]
I	1687.00		NIST
I	1687.00		NIST
Tboil	414.91	K	Joback Calculated Property
Tc	625.45	K	Joback Calculated Property
Tfus	251.08	K	Joback Calculated Property
Vc	0.291	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.89; 216.42]	J/mol×K	[414.91; 625.45]
Cp,gas	156.89	J/mol×K	414.91	Joback Calculated Property
Cp,gas	167.78	J/mol×K	450.00	Joback Calculated Property
Cp,gas	178.29	J/mol×K	485.09	Joback Calculated Property
Cp,gas	188.42	J/mol×K	520.18	Joback Calculated Property
Cp,gas	198.16	J/mol×K	555.27	Joback Calculated Property
Cp,gas	207.49	J/mol×K	590.36	Joback Calculated Property
Cp,gas	216.42	J/mol×K	625.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Methyl crotonolactone.

Sources

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

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