Chemical Properties of Menthyl bicyclo[2.2.1]hept-2-en-5-carboxylate

InChI

InChI=1S/C18H28O2/c1-11(2)15-7-4-12(3)8-17(15)20-18(19)16-10-13-5-6-14(16)9-13/h5-6,11-17H,4,7-10H2,1-3H3/t12-,13?,14?,15+,16?,17-/m0/s1

InChI Key

NUXWNOJUDXSANL-FRHPQPQWSA-N

Formula

C18H28O2

SMILES

CC1CCC(C(C)C)C(OC(=O)C2CC3C=CC2C3)C1

Molecular Weight¹

276.41

• 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_np : Non-polar retention indices.
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[313.78; 891.62]	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			-1.35360e+02
Coefficient B			1.94376e+00
Coefficient C			-1.16008e-03
Coefficient D			2.43300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	313.78	J/mol×K	273.00	Calculated Property
Cp,gas	417.88	J/mol×K	353.78	Calculated Property
Cp,gas	510.21	J/mol×K	434.56	Calculated Property
Cp,gas	591.54	J/mol×K	515.33	Calculated Property
Cp,gas	662.64	J/mol×K	596.11	Calculated Property
Cp,gas	724.28	J/mol×K	676.89	Calculated Property
Cp,gas	777.23	J/mol×K	757.67	Calculated Property
Cp,gas	822.26	J/mol×K	838.44	Calculated Property
Cp,gas	860.13	J/mol×K	919.22	Calculated Property
Cp,gas	891.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029798; 0.0009216]	Pa×s	[347.73; 636.17]	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			-8.40408e+00
Coefficient B			8.99990e+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.			347.73
Temperature range, max.			636.17
η	0.0029798	Pa×s	347.73	Calculated Property
η	0.0023952	Pa×s	379.78	Calculated Property
η	0.0019918	Pa×s	411.83	Calculated Property
η	0.0017010	Pa×s	443.88	Calculated Property
η	0.0014839	Pa×s	475.93	Calculated Property
η	0.0013170	Pa×s	507.98	Calculated Property
η	0.0011856	Pa×s	540.03	Calculated Property
η	0.0010799	Pa×s	572.08	Calculated Property
η	0.0009934	Pa×s	604.13	Calculated Property
η	0.0009216	Pa×s	636.17	Calculated Property

Similar Compounds

Find more compounds similar to Menthyl bicyclo[2.2.1]hept-2-en-5-carboxylate.

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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