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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.30	kJ/mol	Joback Calculated Property
logPoct/wat	0.568		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan Calculated Property
I	[1687.00; 1687.00]
I	1687.00		NIST
I	1687.00		NIST
Tfus	265.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.