Chemical Properties of MENTHOL, O-ISOBUTENYRYL-

InChI

InChI=1S/C14H24O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h9,11-13H,3,6-8H2,1-2,4-5H3

InChI Key

VYPRXWXGLLURNB-UHFFFAOYSA-N

Formula

C14H24O2

SMILES

C=C(C)C(=O)OC1CC(C)CCC1C(C)C

Molecular Weight¹

224.34

Other Names

• Menthyl methacrylate

• 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 standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.25	kJ/mol	Joback Calculated Property
ΔvapH°	72.22	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.567		Crippen Calculated Property
McVol	200.400	ml/mol	McGowan Calculated Property
Inp	[1174.00; 1174.00]
Inp	1174.00		NIST
Inp	1174.00		NIST
Tboil	524.97	K	Relay (1.0) Calculated Property
Tc	733.61	K	Relay (1.0) Calculated Property
Tfus	239.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation 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	[275.25; 719.86]	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			-4.25200e+01
Coefficient B			1.33398e+00
Coefficient C			-6.41800e-04
Coefficient D			7.02000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.25	J/mol×K	273.00	Calculated Property
Cp,gas	352.19	J/mol×K	353.78	Calculated Property
Cp,gas	421.73	J/mol×K	434.56	Calculated Property
Cp,gas	484.09	J/mol×K	515.33	Calculated Property
Cp,gas	539.49	J/mol×K	596.11	Calculated Property
Cp,gas	588.15	J/mol×K	676.89	Calculated Property
Cp,gas	630.29	J/mol×K	757.67	Calculated Property
Cp,gas	666.15	J/mol×K	838.44	Calculated Property
Cp,gas	695.93	J/mol×K	919.22	Calculated Property
Cp,gas	719.86	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to MENTHOL, O-ISOBUTENYRYL-.

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