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

InChI

InChI=1S/C20H27FO4/c1-2-3-4-9-14-24-19(22)15-10-5-6-11-16(15)20(23)25-18-13-8-7-12-17(18)21/h7-8,12-13,15-16H,2-6,9-11,14H2,1H3

InChI Key

RMTXPYILJQATQJ-UHFFFAOYSA-N

Formula

C20H27FO4

SMILES

CCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1F

Molecular Weight¹

350.42

• 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).
• 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°	-425.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-882.80	kJ/mol	Joback Calculated Property
ΔfusH°	42.77	kJ/mol	Joback Calculated Property
ΔvapH°	80.67	kJ/mol	Joback Calculated Property
log10WS	-5.41		Crippen Calculated Property
logPoct/wat	4.661		Crippen Calculated Property
McVol	274.690	ml/mol	McGowan Calculated Property
Pc	1475.88	kPa	Joback Calculated Property
Inp	[2410.00; 2410.00]
Inp	2410.00		NIST
Inp	2410.00		NIST
Tboil	855.39	K	Joback Calculated Property
Tc	1068.47	K	Joback Calculated Property
Tfus	502.15	K	Joback Calculated Property
Vc	1.046	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[884.12; 963.37]	J/mol×K	[855.39; 1068.47]
Cp,gas	884.12	J/mol×K	855.39	Joback Calculated Property
Cp,gas	900.90	J/mol×K	890.90	Joback Calculated Property
Cp,gas	916.22	J/mol×K	926.42	Joback Calculated Property
Cp,gas	930.11	J/mol×K	961.93	Joback Calculated Property
Cp,gas	942.58	J/mol×K	997.44	Joback Calculated Property
Cp,gas	953.66	J/mol×K	1032.96	Joback Calculated Property
Cp,gas	963.37	J/mol×K	1068.47	Joback Calculated Property

Similar Compounds

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

Sources

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

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