Chemical Properties of Fumaric acid, 1-phenylprop-1-yl naphth-2-ylmethyl ester

InChI

InChI=1S/C24H22O4/c1-2-22(20-9-4-3-5-10-20)28-24(26)15-14-23(25)27-17-18-12-13-19-8-6-7-11-21(19)16-18/h3-16,22H,2,17H2,1H3/b15-14-

InChI Key

NESIGXKNEXPZHS-CCEZHUSRSA-N

Formula

C24H22O4

SMILES

CCC(OC(=O)/C=C/C(=O)OCc1ccc2ccccc2c1)c1ccccc1

Molecular Weight¹

374.44

• 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°	48.05	kJ/mol	Joback Calculated Property
logPoct/wat	5.134		Crippen Calculated Property
McVol	292.620	ml/mol	McGowan Calculated Property
Inp	[3072.00; 3072.00]
Inp	3072.00		NIST
Inp	3072.00		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	[380.01; 912.81]	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			-6.89280e+01
Coefficient B			1.97912e+00
Coefficient C			-1.31168e-03
Coefficient D			3.14300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	380.01	J/mol×K	273.00	Calculated Property
Cp,gas	480.99	J/mol×K	353.78	Calculated Property
Cp,gas	569.21	J/mol×K	434.56	Calculated Property
Cp,gas	645.65	J/mol×K	515.33	Calculated Property
Cp,gas	711.32	J/mol×K	596.11	Calculated Property
Cp,gas	767.21	J/mol×K	676.89	Calculated Property
Cp,gas	814.31	J/mol×K	757.67	Calculated Property
Cp,gas	853.61	J/mol×K	838.44	Calculated Property
Cp,gas	886.11	J/mol×K	919.22	Calculated Property
Cp,gas	912.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005505; 0.0000622]	Pa×s	[522.88; 829.85]	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			-1.33986e+01
Coefficient B			3.08180e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			522.88
Temperature range, max.			829.85
η	0.0005505	Pa×s	522.88	Calculated Property
η	0.0003837	Pa×s	556.99	Calculated Property
η	0.0002788	Pa×s	591.09	Calculated Property
η	0.0002098	Pa×s	625.20	Calculated Property
η	0.0001626	Pa×s	659.31	Calculated Property
η	0.0001292	Pa×s	693.42	Calculated Property
η	0.0001049	Pa×s	727.52	Calculated Property
η	0.0000868	Pa×s	761.63	Calculated Property
η	0.0000730	Pa×s	795.74	Calculated Property
η	0.0000622	Pa×s	829.85	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 1-phenylprop-1-yl naphth-2-ylmethyl 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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