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

InChI

InChI=1S/C23H33FO4/c1-2-3-4-5-6-7-10-16-27-22(25)20-14-8-9-15-21(20)23(26)28-19-13-11-12-18(24)17-19/h11-13,17,20-21H,2-10,14-16H2,1H3

InChI Key

KKDVPZNHXGNWEO-UHFFFAOYSA-N

Formula

C23H33FO4

SMILES

CCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1cccc(F)c1

Molecular Weight¹

392.50

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.9407		Relay (1.0) Calculated Property
ΔfG°	-400.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1049.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.54	kJ/mol	Joback Calculated Property
ΔvapH°	111.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-6.49		Relay (1.0) Calculated Property
logPoct/wat	5.831		Crippen Calculated Property
McVol	316.960	ml/mol	McGowan Calculated Property
Pc	1196.48	kPa	Joback Calculated Property
Inp	[2706.00; 2706.00]
Inp	2706.00		NIST
Inp	2706.00		NIST
Tboil	666.47	K	Relay (1.0) Calculated Property
Tc	892.79	K	Relay (1.0) Calculated Property
Tfus	325.86	K	Relay (1.0) Calculated Property
Vc	1.156	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1064.68; 1141.44]	J/mol×K	[924.03; 1138.24]
Cp,gas	1064.68	J/mol×K	924.03	Joback Calculated Property
Cp,gas	1081.33	J/mol×K	959.73	Joback Calculated Property
Cp,gas	1096.38	J/mol×K	995.43	Joback Calculated Property
Cp,gas	1109.89	J/mol×K	1031.13	Joback Calculated Property
Cp,gas	1121.88	J/mol×K	1066.83	Joback Calculated Property
Cp,gas	1132.39	J/mol×K	1102.54	Joback Calculated Property
Cp,gas	1141.44	J/mol×K	1138.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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