Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl heptyl ester

InChI

InChI=1S/C21H29FO4/c1-2-3-4-5-10-15-25-20(23)16-11-6-7-12-17(16)21(24)26-19-14-9-8-13-18(19)22/h8-9,13-14,16-17H,2-7,10-12,15H2,1H3

InChI Key

QIUIWYFKVQTRBT-UHFFFAOYSA-N

Formula

C21H29FO4

SMILES

CCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1F

Molecular Weight¹

364.45

• 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	0.8494		Relay (1.0) Calculated Property
ΔfG°	-417.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-989.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.36	kJ/mol	Joback Calculated Property
ΔvapH°	105.08	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-5.62		Relay (1.0) Calculated Property
logPoct/wat	5.051		Crippen Calculated Property
McVol	288.780	ml/mol	McGowan Calculated Property
Pc	1372.76	kPa	Joback Calculated Property
Inp	[2513.00; 2513.00]
Inp	2513.00		NIST
Inp	2513.00		NIST
Tboil	641.12	K	Relay (1.0) Calculated Property
Tc	875.90	K	Relay (1.0) Calculated Property
Tfus	325.58	K	Relay (1.0) Calculated Property
Vc	1.047	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[943.73; 1022.27]	J/mol×K	[878.27; 1090.97]
Cp,gas	943.73	J/mol×K	878.27	Joback Calculated Property
Cp,gas	960.47	J/mol×K	913.72	Joback Calculated Property
Cp,gas	975.71	J/mol×K	949.17	Joback Calculated Property
Cp,gas	989.49	J/mol×K	984.62	Joback Calculated Property
Cp,gas	1001.82	J/mol×K	1020.07	Joback Calculated Property
Cp,gas	1012.74	J/mol×K	1055.52	Joback Calculated Property
Cp,gas	1022.27	J/mol×K	1090.97	Joback Calculated Property

Similar Compounds

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

Sources

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

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