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

InChI

InChI=1S/C24H30O4/c1-3-4-5-6-7-8-12-19(2)27-23(25)17-18-24(26)28-22-16-11-14-20-13-9-10-15-21(20)22/h9-11,13-19H,3-8,12H2,1-2H3/b18-17+

InChI Key

WQVYKQVUYLDECX-ISLYRVAYSA-N

Formula

C24H30O4

SMILES

CCCCCCCCC(C)OC(=O)/C=C/C(=O)Oc1cccc2ccccc12

Molecular Weight¹

382.50

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	54.00	kJ/mol	Joback Calculated Property
log10WS	-6.92		Relay (1.0) Calculated Property
logPoct/wat	5.984		Crippen Calculated Property
McVol	316.380	ml/mol	McGowan Calculated Property
Inp	[2947.00; 2947.00]
Inp	2947.00		NIST
Inp	2947.00		NIST
Tboil	684.23	K	Relay (1.0) Calculated Property
Tfus	332.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[437.27; 1031.34]	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			-3.50230e+01
Coefficient B			2.05804e+00
Coefficient C			-1.28048e-03
Coefficient D			2.88800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	437.27	J/mol×K	273.00	Calculated Property
Cp,gas	545.59	J/mol×K	353.78	Calculated Property
Cp,gas	641.20	J/mol×K	434.56	Calculated Property
Cp,gas	725.02	J/mol×K	515.33	Calculated Property
Cp,gas	797.96	J/mol×K	596.11	Calculated Property
Cp,gas	860.92	J/mol×K	676.89	Calculated Property
Cp,gas	914.83	J/mol×K	757.67	Calculated Property
Cp,gas	960.59	J/mol×K	838.44	Calculated Property
Cp,gas	999.12	J/mol×K	919.22	Calculated Property
Cp,gas	1031.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006406; 0.0000639]	Pa×s	[496.46; 794.78]	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			-1.34933e+01
Coefficient B			3.04838e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			496.46
Temperature range, max.			794.78
η	0.0006406	Pa×s	496.46	Calculated Property
η	0.0004362	Pa×s	529.61	Calculated Property
η	0.0003108	Pa×s	562.75	Calculated Property
η	0.0002299	Pa×s	595.90	Calculated Property
η	0.0001756	Pa×s	629.05	Calculated Property
η	0.0001378	Pa×s	662.19	Calculated Property
η	0.0001106	Pa×s	695.34	Calculated Property
η	0.0000906	Pa×s	728.48	Calculated Property
η	0.0000755	Pa×s	761.63	Calculated Property
η	0.0000639	Pa×s	794.78	Calculated Property

Similar Compounds

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