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

InChI

InChI=1S/C23H34O4/c1-4-5-6-11-16-26-22(24)19-13-7-8-14-20(19)23(25)27-21-15-10-9-12-18(21)17(2)3/h9-10,12,15,17,19-20H,4-8,11,13-14,16H2,1-3H3

InChI Key

PEQLTOOOUBCFSJ-UHFFFAOYSA-N

Formula

C23H34O4

SMILES

CCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

374.51

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.8718		Relay (... Calculated Property
ΔfG°	-207.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-842.50	kJ/mol	Relay (... Calculated Property
ΔfusH°	43.93	kJ/mol	Joback Calculated Property
ΔvapH°	107.63	kJ/mol	Relay (... Calculated Property
IE	8.51	eV	Relay (... Calculated Property
log10WS	-5.72		Relay (... Calculated Property
logPoct/wat	5.645		Crippen Calculated Property
McVol	315.190	ml/mol	McGowan Calculated Property
Pc	1241.58	kPa	Joback Calculated Property
Inp	[2581.00; 2581.00]
Inp	2581.00		NIST
Inp	2581.00		NIST
Tboil	649.69	K	Relay (... Calculated Property
Tc	896.29	K	Relay (... Calculated Property
Tfus	320.27	K	Relay (... Calculated Property
Vc	1.140	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1058.09; 1136.43]	J/mol×K	[924.32; 1143.98]
Cp,gas	1058.09	J/mol×K	924.32	Joback Calculated Property
Cp,gas	1075.23	J/mol×K	960.93	Joback Calculated Property
Cp,gas	1090.69	J/mol×K	997.54	Joback Calculated Property
Cp,gas	1104.50	J/mol×K	1034.15	Joback Calculated Property
Cp,gas	1116.70	J/mol×K	1070.76	Joback Calculated Property
Cp,gas	1127.34	J/mol×K	1107.37	Joback Calculated Property
Cp,gas	1136.43	J/mol×K	1143.98	Joback Calculated Property
η	[0.0000443; 0.0006038]	Pa×s	[520.37; 924.32]
η	0.0006038	Pa×s	520.37	Joback Calculated Property
η	0.0003045	Pa×s	587.69	Joback Calculated Property
η	0.0001768	Pa×s	655.02	Joback Calculated Property
η	0.0001136	Pa×s	722.35	Joback Calculated Property
η	0.0000787	Pa×s	789.67	Joback Calculated Property
η	0.0000578	Pa×s	856.99	Joback Calculated Property
η	0.0000443	Pa×s	924.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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