Chemical Properties of Fumaric acid, 2-phenethyl cyclohexylmethyl ester

InChI

InChI=1S/C19H24O4/c20-18(22-14-13-16-7-3-1-4-8-16)11-12-19(21)23-15-17-9-5-2-6-10-17/h1,3-4,7-8,11-12,17H,2,5-6,9-10,13-15H2

InChI Key

GZUJZOLYRPCMPI-VAWYXSNFSA-N

Formula

C19H24O4

SMILES

O=C(/C=C/C(=O)OCC1CCCCC1)OCCc1ccccc1

Molecular Weight¹

316.40

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.78	kJ/mol	Joback Calculated Property
ΔvapH°	109.27	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.452		Crippen Calculated Property
McVol	254.530	ml/mol	McGowan Calculated Property
Inp	[2477.00; 2477.00]
Inp	2477.00		NIST
Inp	2477.00		NIST
Tboil	671.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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	[331.84; 851.74]	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			-7.72570e+01
Coefficient B			1.76240e+00
Coefficient C			-1.01660e-03
Coefficient D			1.83200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	331.84	J/mol×K	273.00	Calculated Property
Cp,gas	427.12	J/mol×K	353.78	Calculated Property
Cp,gas	511.66	J/mol×K	434.56	Calculated Property
Cp,gas	586.06	J/mol×K	515.33	Calculated Property
Cp,gas	650.89	J/mol×K	596.11	Calculated Property
Cp,gas	706.72	J/mol×K	676.89	Calculated Property
Cp,gas	754.15	J/mol×K	757.67	Calculated Property
Cp,gas	793.74	J/mol×K	838.44	Calculated Property
Cp,gas	826.08	J/mol×K	919.22	Calculated Property
Cp,gas	851.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013953; 0.0000682]	Pa×s	[417.27; 717.05]	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			-1.37950e+01
Coefficient B			3.01285e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			417.27
Temperature range, max.			717.05
η	0.0013953	Pa×s	417.27	Calculated Property
η	0.0008182	Pa×s	450.58	Calculated Property
η	0.0005164	Pa×s	483.89	Calculated Property
η	0.0003458	Pa×s	517.20	Calculated Property
η	0.0002431	Pa×s	550.51	Calculated Property
η	0.0001779	Pa×s	583.82	Calculated Property
η	0.0001346	Pa×s	617.12	Calculated Property
η	0.0001049	Pa×s	650.43	Calculated Property
η	0.0000837	Pa×s	683.74	Calculated Property
η	0.0000682	Pa×s	717.05	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-phenethyl 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

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.
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