Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, heptyl 3-methylphenyl ester

InChI

InChI=1S/C22H32O4/c1-3-4-5-6-9-15-25-21(23)19-13-7-8-14-20(19)22(24)26-18-12-10-11-17(2)16-18/h10-12,16,19-20H,3-9,13-15H2,1-2H3

InChI Key

HZSSQPISMQKMBH-UHFFFAOYSA-N

Formula

C22H32O4

SMILES

CCCCCCCOC(=O)C1CCCCC1C(=O)Oc1cccc(C)c1

Molecular Weight¹

360.49

• 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	0.8843		Relay (... Calculated Property
ΔfG°	-213.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-829.91	kJ/mol	Relay (... Calculated Property
ΔfusH°	44.87	kJ/mol	Joback Calculated Property
ΔvapH°	107.30	kJ/mol	Relay (... Calculated Property
IE	8.42	eV	Relay (... Calculated Property
log10WS	-5.80		Relay (... Calculated Property
logPoct/wat	5.220		Crippen Calculated Property
McVol	301.100	ml/mol	McGowan Calculated Property
Pc	1322.31	kPa	Joback Calculated Property
Inp	[2623.00; 2623.00]
Inp	2623.00		NIST
Inp	2623.00		NIST
Tboil	662.46	K	Relay (... Calculated Property
Tc	894.68	K	Relay (... Calculated Property
Tfus	318.62	K	Relay (... Calculated Property
Vc	1.093	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[996.81; 1076.30]	J/mol×K	[901.88; 1119.41]
Cp,gas	996.81	J/mol×K	901.88	Joback Calculated Property
Cp,gas	1013.95	J/mol×K	938.13	Joback Calculated Property
Cp,gas	1029.50	J/mol×K	974.39	Joback Calculated Property
Cp,gas	1043.48	J/mol×K	1010.64	Joback Calculated Property
Cp,gas	1055.92	J/mol×K	1046.90	Joback Calculated Property
Cp,gas	1066.85	J/mol×K	1083.15	Joback Calculated Property
Cp,gas	1076.30	J/mol×K	1119.41	Joback Calculated Property
η	[0.0000559; 0.0006041]	Pa×s	[524.10; 901.88]
η	0.0006041	Pa×s	524.10	Joback Calculated Property
η	0.0003285	Pa×s	587.06	Joback Calculated Property
η	0.0002010	Pa×s	650.03	Joback Calculated Property
η	0.0001341	Pa×s	712.99	Joback Calculated Property
η	0.0000956	Pa×s	775.95	Joback Calculated Property
η	0.0000717	Pa×s	838.92	Joback Calculated Property
η	0.0000559	Pa×s	901.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, heptyl 3-methylphenyl ester.

Sources

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

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