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

InChI

InChI=1S/C23H34O4/c1-16(2)10-9-15-26-22(24)19-12-5-6-13-20(19)23(25)27-21-14-8-7-11-18(21)17(3)4/h7-8,11,14,16-17,19-20H,5-6,9-10,12-13,15H2,1-4H3

InChI Key

UIWZXRFCQQXPJD-UHFFFAOYSA-N

Formula

C23H34O4

SMILES

CC(C)CCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

374.51

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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_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

Property	Value	Unit	Source
ΔfG°	-210.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-759.17	kJ/mol	Joback Calculated Property
ΔfusH°	40.41	kJ/mol	Joback Calculated Property
ΔvapH°	87.39	kJ/mol	Joback Calculated Property
log10WS	-6.03		Crippen Calculated Property
logPoct/wat	5.501		Crippen Calculated Property
McVol	315.190	ml/mol	McGowan Calculated Property
Pc	1248.61	kPa	Joback Calculated Property
Inp	[2535.00; 2535.00]
Inp	2535.00		NIST
Inp	2535.00		NIST
Tboil	923.88	K	Joback Calculated Property
Tc	1145.45	K	Joback Calculated Property
Tfus	505.37	K	Joback Calculated Property
Vc	1.183	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1058.54; 1136.91]	J/mol×K	[923.88; 1145.45]
Cp,gas	1058.54	J/mol×K	923.88	Joback Calculated Property
Cp,gas	1075.78	J/mol×K	960.81	Joback Calculated Property
Cp,gas	1091.31	J/mol×K	997.74	Joback Calculated Property
Cp,gas	1105.15	J/mol×K	1034.67	Joback Calculated Property
Cp,gas	1117.34	J/mol×K	1071.59	Joback Calculated Property
Cp,gas	1127.91	J/mol×K	1108.52	Joback Calculated Property
Cp,gas	1136.91	J/mol×K	1145.45	Joback Calculated Property
η	[0.0000405; 0.0006795]	Pa×s	[505.37; 923.88]
η	0.0006795	Pa×s	505.37	Joback Calculated Property
η	0.0003193	Pa×s	575.12	Joback Calculated Property
η	0.0001767	Pa×s	644.87	Joback Calculated Property
η	0.0001097	Pa×s	714.62	Joback Calculated Property
η	0.0000742	Pa×s	784.38	Joback Calculated Property
η	0.0000534	Pa×s	854.13	Joback Calculated Property
η	0.0000405	Pa×s	923.88	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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