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

InChI

InChI=1S/C22H33FO4/c1-2-3-17-26-21(24)14-8-6-4-5-7-9-15-22(25)27-18-16-19-12-10-11-13-20(19)23/h10-13H,2-9,14-18H2,1H3

InChI Key

UVBLOTGMGRZALD-UHFFFAOYSA-N

Formula

C22H33FO4

SMILES

CCCCOC(=O)CCCCCCCCC(=O)OCCc1ccccc1F

Molecular Weight¹

380.49

• 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	1.0444		Relay (1.0) Calculated Property
ΔfG°	-425.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1072.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.04	kJ/mol	Joback Calculated Property
ΔvapH°	112.27	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-5.69		Relay (1.0) Calculated Property
logPoct/wat	5.375		Crippen Calculated Property
McVol	313.730	ml/mol	McGowan Calculated Property
Pc	1135.96	kPa	Joback Calculated Property
Inp	[2663.00; 2663.00]
Inp	2663.00		NIST
Inp	2663.00		NIST
Tboil	652.35	K	Relay (1.0) Calculated Property
Tc	832.73	K	Relay (1.0) Calculated Property
Tfus	293.55	K	Relay (1.0) Calculated Property
Vc	1.182	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1004.47; 1084.59]	J/mol×K	[886.27; 1087.24]
Cp,gas	1004.47	J/mol×K	886.27	Joback Calculated Property
Cp,gas	1020.74	J/mol×K	919.76	Joback Calculated Property
Cp,gas	1035.81	J/mol×K	953.26	Joback Calculated Property
Cp,gas	1049.70	J/mol×K	986.75	Joback Calculated Property
Cp,gas	1062.44	J/mol×K	1020.25	Joback Calculated Property
Cp,gas	1074.06	J/mol×K	1053.74	Joback Calculated Property
Cp,gas	1084.59	J/mol×K	1087.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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