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

InChI

InChI=1S/C26H39FO4/c1-2-3-4-5-6-7-8-9-10-15-20-30-25(28)21-16-11-12-17-22(21)26(29)31-24-19-14-13-18-23(24)27/h13-14,18-19,21-22H,2-12,15-17,20H2,1H3

InChI Key

LIPLJZNQHDOEQG-UHFFFAOYSA-N

Formula

C26H39FO4

SMILES

CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1F

Molecular Weight¹

434.58

• 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°	-375.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1006.64	kJ/mol	Joback Calculated Property
ΔfusH°	58.31	kJ/mol	Joback Calculated Property
ΔvapH°	94.02	kJ/mol	Joback Calculated Property
log10WS	-7.93		Crippen Calculated Property
logPoct/wat	7.002		Crippen Calculated Property
McVol	359.230	ml/mol	McGowan Calculated Property
Pc	989.51	kPa	Joback Calculated Property
Inp	[3044.00; 3044.00]
Inp	3044.00		NIST
Inp	3044.00		NIST
Tboil	992.67	K	Joback Calculated Property
Tc	1215.60	K	Joback Calculated Property
Tfus	569.77	K	Joback Calculated Property
Vc	1.381	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1249.56; 1322.93]	J/mol×K	[992.67; 1215.60]
Cp,gas	1249.56	J/mol×K	992.67	Joback Calculated Property
Cp,gas	1266.11	J/mol×K	1029.82	Joback Calculated Property
Cp,gas	1280.86	J/mol×K	1066.98	Joback Calculated Property
Cp,gas	1293.87	J/mol×K	1104.13	Joback Calculated Property
Cp,gas	1305.18	J/mol×K	1141.29	Joback Calculated Property
Cp,gas	1314.85	J/mol×K	1178.44	Joback Calculated Property
Cp,gas	1322.93	J/mol×K	1215.60	Joback Calculated Property

Similar Compounds

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

Sources

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

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