Chemical Properties of Succinic acid, cyclohexylmethyl (2-methylcyclohex-1-en-1-yl)methyl ester

InChI

InChI=1S/C19H30O4/c1-15-7-5-6-10-17(15)14-23-19(21)12-11-18(20)22-13-16-8-3-2-4-9-16/h16H,2-14H2,1H3

InChI Key

NJJFXGNPGTUADD-UHFFFAOYSA-N

Formula

C19H30O4

SMILES

CC1=C(COC(=O)CCC(=O)OCC2CCCCC2)CCCC1

Molecular Weight¹

322.44

• 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°	36.75	kJ/mol	Joback Calculated Property
logPoct/wat	4.324		Crippen Calculated Property
McVol	267.430	ml/mol	McGowan Calculated Property
Inp	[2523.00; 2523.00]
Inp	2523.00		NIST
Inp	2523.00		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	[361.34; 941.88]	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			-6.43360e+01
Coefficient B			1.79492e+00
Coefficient C			-8.91200e-04
Coefficient D			1.02500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.34	J/mol×K	273.00	Calculated Property
Cp,gas	463.66	J/mol×K	353.78	Calculated Property
Cp,gas	555.77	J/mol×K	434.56	Calculated Property
Cp,gas	638.00	J/mol×K	515.33	Calculated Property
Cp,gas	710.66	J/mol×K	596.11	Calculated Property
Cp,gas	774.09	J/mol×K	676.89	Calculated Property
Cp,gas	828.60	J/mol×K	757.67	Calculated Property
Cp,gas	874.52	J/mol×K	838.44	Calculated Property
Cp,gas	912.17	J/mol×K	919.22	Calculated Property
Cp,gas	941.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012952; 0.0000732]	Pa×s	[433.35; 712.71]	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			-1.39801e+01
Coefficient B			3.17687e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			433.35
Temperature range, max.			712.71
η	0.0012952	Pa×s	433.35	Calculated Property
η	0.0007935	Pa×s	464.39	Calculated Property
η	0.0005169	Pa×s	495.43	Calculated Property
η	0.0003542	Pa×s	526.47	Calculated Property
η	0.0002531	Pa×s	557.51	Calculated Property
η	0.0001874	Pa×s	588.55	Calculated Property
η	0.0001430	Pa×s	619.59	Calculated Property
η	0.0001120	Pa×s	650.63	Calculated Property
η	0.0000896	Pa×s	681.67	Calculated Property
η	0.0000732	Pa×s	712.71	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl (2-methylcyclohex-1-en-1-yl)methyl 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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