Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl octyl ester

InChI

InChI=1S/C25H38O4/c1-4-5-6-7-8-13-18-28-24(26)21-15-9-10-16-22(21)25(27)29-23-17-12-11-14-20(23)19(2)3/h11-12,14,17,19,21-22H,4-10,13,15-16,18H2,1-3H3

InChI Key

OLAFASKJTHXILH-UHFFFAOYSA-N

Formula

C25H38O4

SMILES

CCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

402.57

• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	52.28	kJ/mol	Joback Calculated Property
log10WS	-6.31		Relay (1.0) Calculated Property
logPoct/wat	6.426		Crippen Calculated Property
McVol	343.370	ml/mol	McGowan Calculated Property
Pc	1032.57	kPa	Joback Calculated Property
Inp	[2782.00; 2782.00]
Inp	2782.00		NIST
Inp	2782.00		NIST
Tboil	663.82	K	Relay (1.0) Calculated Property
Tfus	317.86	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[477.63; 1196.03]	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			-4.99730e+01
Coefficient B			2.23236e+00
Coefficient C			-1.13996e-03
Coefficient D			1.53600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	477.63	J/mol×K	273.00	Calculated Property
Cp,gas	603.91	J/mol×K	353.78	Calculated Property
Cp,gas	717.45	J/mol×K	434.56	Calculated Property
Cp,gas	818.72	J/mol×K	515.33	Calculated Property
Cp,gas	908.22	J/mol×K	596.11	Calculated Property
Cp,gas	986.42	J/mol×K	676.89	Calculated Property
Cp,gas	1053.82	J/mol×K	757.67	Calculated Property
Cp,gas	1110.89	J/mol×K	838.44	Calculated Property
Cp,gas	1158.13	J/mol×K	919.22	Calculated Property
Cp,gas	1196.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007026; 0.0000443]	Pa×s	[483.25; 805.32]	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			-1.41731e+01
Coefficient B			3.34044e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			483.25
Temperature range, max.			805.32
η	0.0007026	Pa×s	483.25	Calculated Property
η	0.0004363	Pa×s	519.04	Calculated Property
η	0.0002881	Pa×s	554.82	Calculated Property
η	0.0002000	Pa×s	590.61	Calculated Property
η	0.0001448	Pa×s	626.39	Calculated Property
η	0.0001085	Pa×s	662.18	Calculated Property
η	0.0000838	Pa×s	697.96	Calculated Property
η	0.0000664	Pa×s	733.75	Calculated Property
η	0.0000537	Pa×s	769.53	Calculated Property
η	0.0000443	Pa×s	805.32	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl octyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.