Chemical Properties of Sebacic acid, 3,5-difluorophenyl tetradecyl ester

InChI

InChI=1S/C30H48F2O4/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-35-29(33)20-17-14-11-12-15-18-21-30(34)36-28-24-26(31)23-27(32)25-28/h23-25H,2-22H2,1H3

InChI Key

KOWFMXBIUZDZAK-UHFFFAOYSA-N

Formula

C30H48F2O4

SMILES

CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1cc(F)cc(F)c1

Molecular Weight¹

510.70

• 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	1.3893		Relay (... Calculated Property
ΔfG°	-562.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1409.80	kJ/mol	Relay (... Calculated Property
ΔfusH°	78.45	kJ/mol	Joback Calculated Property
ΔvapH°	139.19	kJ/mol	Relay (... Calculated Property
IE	9.16	eV	Relay (... Calculated Property
log10WS	-9.06		Relay (... Calculated Property
logPoct/wat	9.235		Crippen Calculated Property
McVol	428.220	ml/mol	McGowan Calculated Property
Pc	694.35	kPa	Joback Calculated Property
Inp	[3470.00; 3470.00]
Inp	3470.00		NIST
Inp	3470.00		NIST
Tboil	696.74	K	Relay (... Calculated Property
Tc	889.67	K	Relay (... Calculated Property
Tfus	331.02	K	Relay (... Calculated Property
Vc	1.633	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1508.93; 1591.78]	J/mol×K	[1073.56; 1341.16]
Cp,gas	1508.93	J/mol×K	1073.56	Joback Calculated Property
Cp,gas	1528.25	J/mol×K	1118.16	Joback Calculated Property
Cp,gas	1545.22	J/mol×K	1162.76	Joback Calculated Property
Cp,gas	1559.95	J/mol×K	1207.36	Joback Calculated Property
Cp,gas	1572.55	J/mol×K	1251.96	Joback Calculated Property
Cp,gas	1583.12	J/mol×K	1296.56	Joback Calculated Property
Cp,gas	1591.78	J/mol×K	1341.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3,5-difluorophenyl tetradecyl ester.

Sources

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

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