Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, nonyl 3-phenylpropyl ester

InChI

InChI=1S/C26H40O4/c1-2-3-4-5-6-7-13-20-29-25(27)23-18-11-12-19-24(23)26(28)30-21-14-17-22-15-9-8-10-16-22/h8-10,15-16,23-24H,2-7,11-14,17-21H2,1H3

InChI Key

KXABSGMJLXHOGX-UHFFFAOYSA-N

Formula

C26H40O4

SMILES

CCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCCc1ccccc1

Molecular Weight¹

416.59

• 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°	-170.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-799.06	kJ/mol	Joback Calculated Property
ΔfusH°	55.62	kJ/mol	Joback Calculated Property
ΔvapH°	94.18	kJ/mol	Joback Calculated Property
log10WS	-6.95		Crippen Calculated Property
logPoct/wat	6.263		Crippen Calculated Property
McVol	357.460	ml/mol	McGowan Calculated Property
Pc	1027.94	kPa	Joback Calculated Property
Inp	[3060.00; 3060.00]
Inp	3060.00		NIST
Inp	3060.00		NIST
Tboil	988.42	K	Joback Calculated Property
Tc	1211.55	K	Joback Calculated Property
Tfus	556.66	K	Joback Calculated Property
Vc	1.363	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1243.48; 1319.51]	J/mol×K	[988.42; 1211.55]
Cp,gas	1243.48	J/mol×K	988.42	Joback Calculated Property
Cp,gas	1260.41	J/mol×K	1025.61	Joback Calculated Property
Cp,gas	1275.56	J/mol×K	1062.80	Joback Calculated Property
Cp,gas	1288.99	J/mol×K	1099.98	Joback Calculated Property
Cp,gas	1300.76	J/mol×K	1137.17	Joback Calculated Property
Cp,gas	1310.92	J/mol×K	1174.36	Joback Calculated Property
Cp,gas	1319.51	J/mol×K	1211.55	Joback Calculated Property
η	[0.0000307; 0.0004435]	Pa×s	[556.66; 988.42]
η	0.0004435	Pa×s	556.66	Joback Calculated Property
η	0.0002202	Pa×s	628.62	Joback Calculated Property
η	0.0001262	Pa×s	700.58	Joback Calculated Property
η	0.0000803	Pa×s	772.54	Joback Calculated Property
η	0.0000551	Pa×s	844.50	Joback Calculated Property
η	0.0000402	Pa×s	916.46	Joback Calculated Property
η	0.0000307	Pa×s	988.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, nonyl 3-phenylpropyl ester.

Sources

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

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