Chemical Properties of Succinic acid, naphth-2-ylmethyl trans-4-methylcyclohexyl ester

InChI

InChI=1S/C22H26O4/c1-16-6-10-20(11-7-16)26-22(24)13-12-21(23)25-15-17-8-9-18-4-2-3-5-19(18)14-17/h2-5,8-9,14,16,20H,6-7,10-13,15H2,1H3

InChI Key

JGSCGESOTFPLKS-UHFFFAOYSA-N

Formula

C22H26O4

SMILES

CC1CCC(OC(=O)CCC(=O)OCc2ccc3ccccc3c2)CC1

Molecular Weight¹

354.44

• 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°	45.05	kJ/mol	Joback Calculated Property
logPoct/wat	4.785		Crippen Calculated Property
McVol	281.640	ml/mol	McGowan Calculated Property
Inp	[2967.00; 2967.00]
Inp	2967.00		NIST
Inp	2967.00		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	[373.30; 949.93]	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			-7.70070e+01
Coefficient B			1.93772e+00
Coefficient C			-1.11028e-03
Coefficient D			1.99500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	373.30	J/mol×K	273.00	Calculated Property
Cp,gas	478.39	J/mol×K	353.78	Calculated Property
Cp,gas	571.75	J/mol×K	434.56	Calculated Property
Cp,gas	654.01	J/mol×K	515.33	Calculated Property
Cp,gas	725.81	J/mol×K	596.11	Calculated Property
Cp,gas	787.78	J/mol×K	676.89	Calculated Property
Cp,gas	840.54	J/mol×K	757.67	Calculated Property
Cp,gas	884.74	J/mol×K	838.44	Calculated Property
Cp,gas	920.99	J/mol×K	919.22	Calculated Property
Cp,gas	949.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009388; 0.0001288]	Pa×s	[497.14; 780.09]	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			-1.24474e+01
Coefficient B			2.72258e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			497.14
Temperature range, max.			780.09
η	0.0009388	Pa×s	497.14	Calculated Property
η	0.0006778	Pa×s	528.58	Calculated Property
η	0.0005076	Pa×s	560.02	Calculated Property
η	0.0003920	Pa×s	591.46	Calculated Property
η	0.0003107	Pa×s	622.90	Calculated Property
η	0.0002519	Pa×s	654.34	Calculated Property
η	0.0002081	Pa×s	685.77	Calculated Property
η	0.0001749	Pa×s	717.21	Calculated Property
η	0.0001491	Pa×s	748.65	Calculated Property
η	0.0001288	Pa×s	780.09	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, naphth-2-ylmethyl trans-4-methylcyclohexyl 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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