Chemical Properties of 2-Propenoic acid, 3-phenyl-, cyclohexyl ester (CAS 7779-17-1)

InChI

InChI=1S/C15H18O2/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11+

InChI Key

GCFAUZGWPDYAJN-VAWYXSNFSA-N

Formula

C15H18O2

SMILES

O=C(C=Cc1ccccc1)OC1CCCCC1

Molecular Weight¹

230.30

CAS

7779-17-1

Other Names

• Cinnamic acid, cyclohexyl ester
• Cyclohexyl cinnamate
• 2-Butenoic acid,3-phenyl, cyclohexyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[230.65; 637.27]	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			-9.90300e+01
Coefficient B			1.43720e+00
Coefficient C			-8.93600e-04
Coefficient D			1.92700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.65	J/mol×K	273.00	Calculated Property
Cp,gas	306.11	J/mol×K	353.78	Calculated Property
Cp,gas	372.58	J/mol×K	434.56	Calculated Property
Cp,gas	430.67	J/mol×K	515.33	Calculated Property
Cp,gas	480.98	J/mol×K	596.11	Calculated Property
Cp,gas	524.13	J/mol×K	676.89	Calculated Property
Cp,gas	560.72	J/mol×K	757.67	Calculated Property
Cp,gas	591.37	J/mol×K	838.44	Calculated Property
Cp,gas	616.68	J/mol×K	919.22	Calculated Property
Cp,gas	637.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032175; 0.0001307]	Pa×s	[329.86; 622.88]	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			-1.25496e+01
Coefficient B			2.24649e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			329.86
Temperature range, max.			622.88
η	0.0032175	Pa×s	329.86	Calculated Property
η	0.0017451	Pa×s	362.42	Calculated Property
η	0.0010469	Pa×s	394.97	Calculated Property
η	0.0006789	Pa×s	427.53	Calculated Property
η	0.0004681	Pa×s	460.09	Calculated Property
η	0.0003390	Pa×s	492.65	Calculated Property
η	0.0002555	Pa×s	525.20	Calculated Property
η	0.0001991	Pa×s	557.76	Calculated Property
η	0.0001594	Pa×s	590.32	Calculated Property
η	0.0001307	Pa×s	622.88	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 3-phenyl-, cyclohexyl 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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