Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(3-methylbut-2-yl) diester

InChI

InChI=1S/C18H32O4/c1-11(2)13(5)21-17(19)15-9-7-8-10-16(15)18(20)22-14(6)12(3)4/h11-16H,7-10H2,1-6H3

InChI Key

RMIWZZXXPRWNSX-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

CC(C)C(C)OC(=O)C1CCCCC1C(=O)OC(C)C(C)C

Molecular Weight¹

312.45

• 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°	29.93	kJ/mol	Joback Calculated Property
logPoct/wat	3.968		Crippen Calculated Property
McVol	268.500	ml/mol	McGowan Calculated Property
Inp	[1952.00; 1952.00]
Inp	1952.00		NIST
Inp	1952.00		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	[382.89; 958.07]	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			-2.90500e+01
Coefficient B			1.72352e+00
Coefficient C			-8.04600e-04
Coefficient D			6.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	382.89	J/mol×K	273.00	Calculated Property
Cp,gas	483.01	J/mol×K	353.78	Calculated Property
Cp,gas	573.57	J/mol×K	434.56	Calculated Property
Cp,gas	654.79	J/mol×K	515.33	Calculated Property
Cp,gas	726.89	J/mol×K	596.11	Calculated Property
Cp,gas	790.08	J/mol×K	676.89	Calculated Property
Cp,gas	844.58	J/mol×K	757.67	Calculated Property
Cp,gas	890.60	J/mol×K	838.44	Calculated Property
Cp,gas	928.36	J/mol×K	919.22	Calculated Property
Cp,gas	958.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0076915; 0.0000847]	Pa×s	[320.42; 658.81]	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			-1.36456e+01
Coefficient B			2.81262e+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.			320.42
Temperature range, max.			658.81
η	0.0076915	Pa×s	320.42	Calculated Property
η	0.0030595	Pa×s	358.02	Calculated Property
η	0.0014501	Pa×s	395.62	Calculated Property
η	0.0007824	Pa×s	433.22	Calculated Property
η	0.0004659	Pa×s	470.82	Calculated Property
η	0.0002995	Pa×s	508.42	Calculated Property
η	0.0002046	Pa×s	546.02	Calculated Property
η	0.0001468	Pa×s	583.61	Calculated Property
η	0.0001097	Pa×s	621.21	Calculated Property
η	0.0000847	Pa×s	658.81	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(3-methylbut-2-yl) diester.

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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