Chemical Properties of 4-Cyclohexene-1,2-dicarboxylic acid, di-(2-methylpropyl) ester (CAS 81667-22-3)

InChI

InChI=1S/C16H26O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-6,11-14H,7-10H2,1-4H3

InChI Key

RITNWOCATMPHEE-UHFFFAOYSA-N

Formula

C16H26O4

SMILES

CC(C)COC(=O)C1CC=CCC1C(=O)OCC(C)C

Molecular Weight¹

282.38

CAS

81667-22-3

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.62; 822.51]	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			-1.60880e+01
Coefficient B			1.46568e+00
Coefficient C			-6.76680e-04
Coefficient D			4.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	334.62	J/mol×K	273.00	Calculated Property
Cp,gas	419.94	J/mol×K	353.78	Calculated Property
Cp,gas	497.12	J/mol×K	434.56	Calculated Property
Cp,gas	566.31	J/mol×K	515.33	Calculated Property
Cp,gas	627.67	J/mol×K	596.11	Calculated Property
Cp,gas	681.36	J/mol×K	676.89	Calculated Property
Cp,gas	727.53	J/mol×K	757.67	Calculated Property
Cp,gas	766.34	J/mol×K	838.44	Calculated Property
Cp,gas	797.95	J/mol×K	919.22	Calculated Property
Cp,gas	822.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044053; 0.0001271]	Pa×s	[328.64; 626.05]	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			-1.28887e+01
Coefficient B			2.45290e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			328.64
Temperature range, max.			626.05
η	0.0044053	Pa×s	328.64	Calculated Property
η	0.0022275	Pa×s	361.69	Calculated Property
η	0.0012625	Pa×s	394.73	Calculated Property
η	0.0007812	Pa×s	427.78	Calculated Property
η	0.0005178	Pa×s	460.82	Calculated Property
η	0.0003627	Pa×s	493.87	Calculated Property
η	0.0002656	Pa×s	526.92	Calculated Property
η	0.0002018	Pa×s	559.96	Calculated Property
η	0.0001581	Pa×s	593.01	Calculated Property
η	0.0001271	Pa×s	626.05	Calculated Property

Similar Compounds

Find more compounds similar to 4-Cyclohexene-1,2-dicarboxylic acid, di-(2-methylpropyl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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