Chemical Properties of Dimethylmalonic acid, cis-4-methylcyclohexyl isohexyl ester

InChI

InChI=1S/C18H32O4/c1-13(2)7-6-12-21-16(19)18(4,5)17(20)22-15-10-8-14(3)9-11-15/h13-15H,6-12H2,1-5H3

InChI Key

GKABQZJQDGTTPN-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

CC(C)CCCOC(=O)C(C)(C)C(=O)OC1CCC(C)CC1

Molecular Weight¹

312.44

• 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°	33.08	kJ/mol	Joback Calculated Property
logPoct/wat	4.114		Crippen Calculated Property
McVol	268.500	ml/mol	McGowan Calculated Property
Inp	[2008.00; 2008.00]
Inp	2008.00		NIST
Inp	2008.00		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	[382.38; 957.92]	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			-4.84770e+01
Coefficient B			1.83160e+00
Coefficient C			-9.66800e-04
Coefficient D			1.41600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	382.38	J/mol×K	273.00	Calculated Property
Cp,gas	484.77	J/mol×K	353.78	Calculated Property
Cp,gas	576.51	J/mol×K	434.56	Calculated Property
Cp,gas	658.03	J/mol×K	515.33	Calculated Property
Cp,gas	729.80	J/mol×K	596.11	Calculated Property
Cp,gas	792.26	J/mol×K	676.89	Calculated Property
Cp,gas	845.85	J/mol×K	757.67	Calculated Property
Cp,gas	891.03	J/mol×K	838.44	Calculated Property
Cp,gas	928.24	J/mol×K	919.22	Calculated Property
Cp,gas	957.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030710; 0.0000911]	Pa×s	[367.84; 657.09]	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			-1.37776e+01
Coefficient B			2.93970e+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.			367.84
Temperature range, max.			657.09
η	0.0030710	Pa×s	367.84	Calculated Property
η	0.0016158	Pa×s	399.98	Calculated Property
η	0.0009354	Pa×s	432.12	Calculated Property
η	0.0005841	Pa×s	464.26	Calculated Property
η	0.0003876	Pa×s	496.39	Calculated Property
η	0.0002704	Pa×s	528.53	Calculated Property
η	0.0001966	Pa×s	560.67	Calculated Property
η	0.0001480	Pa×s	592.81	Calculated Property
η	0.0001146	Pa×s	624.95	Calculated Property
η	0.0000911	Pa×s	657.09	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, cis-4-methylcyclohexyl isohexyl 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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