Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, heptyl 4-isopropylphenyl ester

InChI

InChI=1S/C24H36O4/c1-4-5-6-7-10-17-27-23(25)21-11-8-9-12-22(21)24(26)28-20-15-13-19(14-16-20)18(2)3/h13-16,18,21-22H,4-12,17H2,1-3H3

InChI Key

RQIWLLWENZLDQT-UHFFFAOYSA-N

Formula

C24H36O4

SMILES

CCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccc(C(C)C)cc1

Molecular Weight¹

388.54

• 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°	-199.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-774.53	kJ/mol	Joback Calculated Property
ΔfusH°	46.52	kJ/mol	Joback Calculated Property
ΔvapH°	90.00	kJ/mol	Joback Calculated Property
log10WS	-6.69		Crippen Calculated Property
logPoct/wat	6.035		Crippen Calculated Property
McVol	329.280	ml/mol	McGowan Calculated Property
Pc	1161.66	kPa	Joback Calculated Property
Inp	[2755.00; 2788.00]
Inp	2755.00		NIST
Inp	2788.00		NIST
Inp	2755.00		NIST
Tboil	947.20	K	Joback Calculated Property
Tc	1167.68	K	Joback Calculated Property
Tfus	531.64	K	Joback Calculated Property
Vc	1.246	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1119.38; 1196.30]	J/mol×K	[947.20; 1167.68]
Cp,gas	1119.38	J/mol×K	947.20	Joback Calculated Property
Cp,gas	1136.37	J/mol×K	983.95	Joback Calculated Property
Cp,gas	1151.65	J/mol×K	1020.69	Joback Calculated Property
Cp,gas	1165.24	J/mol×K	1057.44	Joback Calculated Property
Cp,gas	1177.19	J/mol×K	1094.19	Joback Calculated Property
Cp,gas	1187.53	J/mol×K	1130.93	Joback Calculated Property
Cp,gas	1196.30	J/mol×K	1167.68	Joback Calculated Property
η	[0.0000384; 0.0005399]	Pa×s	[531.64; 947.20]
η	0.0005399	Pa×s	531.64	Joback Calculated Property
η	0.0002696	Pa×s	600.90	Joback Calculated Property
η	0.0001554	Pa×s	670.16	Joback Calculated Property
η	0.0000993	Pa×s	739.42	Joback Calculated Property
η	0.0000685	Pa×s	808.68	Joback Calculated Property
η	0.0000501	Pa×s	877.94	Joback Calculated Property
η	0.0000384	Pa×s	947.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, heptyl 4-isopropylphenyl ester.

Sources

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

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