Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-biphenyl nonyl ester

InChI

InChI=1S/C29H38O4/c1-2-3-4-5-6-7-15-22-32-28(30)25-19-11-12-20-26(25)29(31)33-27-21-14-13-18-24(27)23-16-9-8-10-17-23/h8-10,13-14,16-18,21,25-26H,2-7,11-12,15,19-20,22H2,1H3

InChI Key

GVYZYXOTSDAQGP-UHFFFAOYSA-N

Formula

C29H38O4

SMILES

CCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1-c1ccccc1

Molecular Weight¹

450.61

• 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	1.0358		Relay (1.0) Calculated Property
ΔfG°	-42.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-732.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.04	kJ/mol	Joback Calculated Property
ΔvapH°	138.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-7.12		Relay (1.0) Calculated Property
logPoct/wat	7.359		Crippen Calculated Property
McVol	375.970	ml/mol	McGowan Calculated Property
Pc	1046.65	kPa	Joback Calculated Property
Inp	[3287.00; 3287.00]
Inp	3287.00		NIST
Inp	3287.00		NIST
Tboil	734.77	K	Relay (1.0) Calculated Property
Tc	997.27	K	Relay (1.0) Calculated Property
Tfus	341.99	K	Relay (1.0) Calculated Property
Vc	1.359	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1318.26; 1370.27]	J/mol×K	[1088.72; 1334.05]
Cp,gas	1318.26	J/mol×K	1088.72	Joback Calculated Property
Cp,gas	1331.58	J/mol×K	1129.61	Joback Calculated Property
Cp,gas	1342.92	J/mol×K	1170.50	Joback Calculated Property
Cp,gas	1352.37	J/mol×K	1211.38	Joback Calculated Property
Cp,gas	1360.02	J/mol×K	1252.27	Joback Calculated Property
Cp,gas	1365.96	J/mol×K	1293.16	Joback Calculated Property
Cp,gas	1370.27	J/mol×K	1334.05	Joback Calculated Property
η	[0.0000209; 0.0002446]	Pa×s	[629.41; 1088.72]
η	0.0002446	Pa×s	629.41	Joback Calculated Property
η	0.0001300	Pa×s	705.96	Joback Calculated Property
η	0.0000782	Pa×s	782.51	Joback Calculated Property
η	0.0000515	Pa×s	859.07	Joback Calculated Property
η	0.0000363	Pa×s	935.62	Joback Calculated Property
η	0.0000270	Pa×s	1012.17	Joback Calculated Property
η	0.0000209	Pa×s	1088.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-biphenyl nonyl ester.

Sources

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

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