Chemical Properties of Succinic acid, cyclohexylmethyl 4-methylpent-2-yl ester

InChI

InChI=1S/C17H30O4/c1-13(2)11-14(3)21-17(19)10-9-16(18)20-12-15-7-5-4-6-8-15/h13-15H,4-12H2,1-3H3

InChI Key

IRUGPHMHOIXDDH-UHFFFAOYSA-N

Formula

C17H30O4

SMILES

CC(C)CC(C)OC(=O)CCC(=O)OCC1CCCCC1

Molecular Weight¹

298.42

• 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°	33.31	kJ/mol	Joback Calculated Property
logPoct/wat	3.868		Crippen Calculated Property
McVol	254.410	ml/mol	McGowan Calculated Property
Inp	[1992.00; 1992.00]
Inp	1992.00		NIST
Inp	1992.00		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	[360.04; 898.74]	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			-3.07160e+01
Coefficient B			1.64316e+00
Coefficient C			-7.99200e-04
Coefficient D			8.55000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	360.04	J/mol×K	273.00	Calculated Property
Cp,gas	454.36	J/mol×K	353.78	Calculated Property
Cp,gas	539.42	J/mol×K	434.56	Calculated Property
Cp,gas	615.52	J/mol×K	515.33	Calculated Property
Cp,gas	682.91	J/mol×K	596.11	Calculated Property
Cp,gas	741.86	J/mol×K	676.89	Calculated Property
Cp,gas	792.65	J/mol×K	757.67	Calculated Property
Cp,gas	835.55	J/mol×K	838.44	Calculated Property
Cp,gas	870.82	J/mol×K	919.22	Calculated Property
Cp,gas	898.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048155; 0.0000947]	Pa×s	[343.39; 643.88]	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			-1.37535e+01
Coefficient B			2.89051e+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.			343.39
Temperature range, max.			643.88
η	0.0048155	Pa×s	343.39	Calculated Property
η	0.0022840	Pa×s	376.78	Calculated Property
η	0.0012231	Pa×s	410.17	Calculated Property
η	0.0007196	Pa×s	443.55	Calculated Property
η	0.0004560	Pa×s	476.94	Calculated Property
η	0.0003067	Pa×s	510.33	Calculated Property
η	0.0002166	Pa×s	543.72	Calculated Property
η	0.0001593	Pa×s	577.11	Calculated Property
η	0.0001211	Pa×s	610.50	Calculated Property
η	0.0000947	Pa×s	643.88	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 4-methylpent-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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