Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, cyclohexylmethyl ester

InChI

InChI=1S/C17H22O2/c18-17(19-12-13-7-3-1-4-8-13)16-11-15(16)14-9-5-2-6-10-14/h2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12H2

InChI Key

YMOFCEPOIRCUQY-UHFFFAOYSA-N

Formula

C17H22O2

SMILES

O=C(OCC1CCCCC1)C1CC1c1ccccc1

Molecular Weight¹

258.36

• 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

Property	Value	Unit	Source
ΔfusH°	29.24	kJ/mol	Joback Calculated Property
logPoct/wat	3.914		Crippen Calculated Property
McVol	212.350	ml/mol	McGowan Calculated Property
Inp	[2116.00; 2116.00]
Inp	2116.00		NIST
Inp	2116.00		NIST

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	[265.90; 757.43]	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			-1.30969e+02
Coefficient B			1.73160e+00
Coefficient C			-1.08340e-03
Coefficient D			2.40200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	265.90	J/mol×K	273.00	Calculated Property
Cp,gas	356.67	J/mol×K	353.78	Calculated Property
Cp,gas	436.63	J/mol×K	434.56	Calculated Property
Cp,gas	506.54	J/mol×K	515.33	Calculated Property
Cp,gas	567.15	J/mol×K	596.11	Calculated Property
Cp,gas	619.24	J/mol×K	676.89	Calculated Property
Cp,gas	663.55	J/mol×K	757.67	Calculated Property
Cp,gas	700.84	J/mol×K	838.44	Calculated Property
Cp,gas	731.88	J/mol×K	919.22	Calculated Property
Cp,gas	757.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027975; 0.0003928]	Pa×s	[371.18; 651.07]	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			-1.04456e+01
Coefficient B			1.69504e+03
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.			371.18
Temperature range, max.			651.07
η	0.0027975	Pa×s	371.18	Calculated Property
η	0.0019654	Pa×s	402.28	Calculated Property
η	0.0014526	Pa×s	433.38	Calculated Property
η	0.0011179	Pa×s	464.48	Calculated Property
η	0.0008891	Pa×s	495.57	Calculated Property
η	0.0007265	Pa×s	526.67	Calculated Property
η	0.0006072	Pa×s	557.77	Calculated Property
η	0.0005171	Pa×s	588.87	Calculated Property
η	0.0004476	Pa×s	619.97	Calculated Property
η	0.0003928	Pa×s	651.07	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, cyclohexylmethyl ester.

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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