Chemical Properties of Sebacic acid, di(2-(2-fluorophenyl)ethyl) ester

InChI

InChI=1S/C26H32F2O4/c27-23-13-9-7-11-21(23)17-19-31-25(29)15-5-3-1-2-4-6-16-26(30)32-20-18-22-12-8-10-14-24(22)28/h7-14H,1-6,15-20H2

InChI Key

QPMKHKCKZHIWJP-UHFFFAOYSA-N

Formula

C26H32F2O4

SMILES

O=C(CCCCCCCCC(=O)OCCc1ccccc1F)OCCc1ccccc1F

Molecular Weight¹

446.53

• 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°	-483.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-1011.67	kJ/mol	Joback Calculated Property
ΔfusH°	62.13	kJ/mol	Joback Calculated Property
ΔvapH°	96.02	kJ/mol	Joback Calculated Property
log10WS	-7.30		Crippen Calculated Property
logPoct/wat	5.957		Crippen Calculated Property
McVol	348.100	ml/mol	McGowan Calculated Property
Pc	1054.14	kPa	Joback Calculated Property
Inp	[3136.00; 3136.00]
Inp	3136.00		NIST
Inp	3136.00		NIST
Tboil	1008.72	K	Joback Calculated Property
Tc	1234.96	K	Joback Calculated Property
Tfus	606.16	K	Joback Calculated Property
Vc	1.359	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1150.21; 1213.64]	J/mol×K	[1008.72; 1234.96]
Cp,gas	1150.21	J/mol×K	1008.72	Joback Calculated Property
Cp,gas	1164.27	J/mol×K	1046.43	Joback Calculated Property
Cp,gas	1176.85	J/mol×K	1084.13	Joback Calculated Property
Cp,gas	1188.02	J/mol×K	1121.84	Joback Calculated Property
Cp,gas	1197.84	J/mol×K	1159.55	Joback Calculated Property
Cp,gas	1206.36	J/mol×K	1197.25	Joback Calculated Property
Cp,gas	1213.64	J/mol×K	1234.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(2-(2-fluorophenyl)ethyl) ester.

Sources

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

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