Chemical Properties of o-Methylvalerolactim

InChI

InChI=1S/C6H11NO/c1-8-6-4-2-3-5-7-6/h2-5H2,1H3

InChI Key

YNTUHDRALXNDEQ-UHFFFAOYSA-N

Formula

C6H11NO

SMILES

COC1=NCCCC1

Molecular Weight¹

113.16

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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
ΔvapH	[41.00; 42.80]	kJ/mol	[315.00; 403.00]
ΔvapH	42.80	kJ/mol	315.00	NIST
ΔvapH	41.00 ± 3.10	kJ/mol	403.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[124.29; 346.09]	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			-1.96100e+01
Coefficient B			5.77200e-01
Coefficient C			-1.73000e-04
Coefficient D			-3.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	124.29	J/mol×K	273.00	Calculated Property
Cp,gas	161.23	J/mol×K	353.78	Calculated Property
Cp,gas	195.39	J/mol×K	434.56	Calculated Property
Cp,gas	226.63	J/mol×K	515.33	Calculated Property
Cp,gas	254.83	J/mol×K	596.11	Calculated Property
Cp,gas	279.89	J/mol×K	676.89	Calculated Property
Cp,gas	301.66	J/mol×K	757.67	Calculated Property
Cp,gas	320.03	J/mol×K	838.44	Calculated Property
Cp,gas	334.88	J/mol×K	919.22	Calculated Property
Cp,gas	346.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to o-Methylvalerolactim.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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