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).
• η : Dynamic viscosity (Pa×s).
• 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°	14.38	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	255.41	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[111.60; 270.01]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.54300e+01
Coefficient B			5.58040e-01
Coefficient C			-3.64800e-04
Coefficient D			9.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	111.60	J/mol×K	273.00	Calculated Property
Cp,gas	140.42	J/mol×K	353.78	Calculated Property
Cp,gas	165.75	J/mol×K	434.56	Calculated Property
Cp,gas	187.89	J/mol×K	515.33	Calculated Property
Cp,gas	207.12	J/mol×K	596.11	Calculated Property
Cp,gas	223.75	J/mol×K	676.89	Calculated Property
Cp,gas	238.06	J/mol×K	757.67	Calculated Property
Cp,gas	250.35	J/mol×K	838.44	Calculated Property
Cp,gas	260.90	J/mol×K	919.22	Calculated Property
Cp,gas	270.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005240; 0.0003372]	Pa×s	[205.66; 385.99]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-8.49766e+00
Coefficient B			1.94060e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			205.66
Temperature range, max.			385.99
η	0.0005240	Pa×s	205.66	Calculated Property
η	0.0004819	Pa×s	225.70	Calculated Property
η	0.0004492	Pa×s	245.73	Calculated Property
η	0.0004233	Pa×s	265.77	Calculated Property
η	0.0004022	Pa×s	285.81	Calculated Property
η	0.0003847	Pa×s	305.84	Calculated Property
η	0.0003699	Pa×s	325.88	Calculated Property
η	0.0003574	Pa×s	345.92	Calculated Property
η	0.0003466	Pa×s	365.95	Calculated Property
η	0.0003372	Pa×s	385.99	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

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