Chemical Properties of Sebacic acid, di(1-(4-fluorophenyl)ethyl) ester

InChI

InChI=1S/C26H32F2O4/c1-19(21-11-15-23(27)16-12-21)31-25(29)9-7-5-3-4-6-8-10-26(30)32-20(2)22-13-17-24(28)18-14-22/h11-20H,3-10H2,1-2H3

InChI Key

RYAOYJQJFNWAPK-UHFFFAOYSA-N

Formula

C26H32F2O4

SMILES

CC(OC(=O)CCCCCCCCC(=O)OC(C)c1ccc(F)cc1)c1ccc(F)cc1

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°	-488.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-1022.23	kJ/mol	Joback Calculated Property
ΔfusH°	55.09	kJ/mol	Joback Calculated Property
ΔvapH°	95.25	kJ/mol	Joback Calculated Property
log10WS	-8.22		Crippen Calculated Property
logPoct/wat	6.994		Crippen Calculated Property
McVol	348.100	ml/mol	McGowan Calculated Property
Pc	1065.18	kPa	Joback Calculated Property
Inp	[2960.00; 2960.00]
Inp	2960.00		NIST
Inp	2960.00		NIST
Tboil	1007.84	K	Joback Calculated Property
Tc	1234.25	K	Joback Calculated Property
Tfus	576.16	K	Joback Calculated Property
Vc	1.347	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1150.91; 1213.13]	J/mol×K	[1007.84; 1234.25]
Cp,gas	1150.91	J/mol×K	1007.84	Joback Calculated Property
Cp,gas	1164.84	J/mol×K	1045.58	Joback Calculated Property
Cp,gas	1177.27	J/mol×K	1083.31	Joback Calculated Property
Cp,gas	1188.26	J/mol×K	1121.05	Joback Calculated Property
Cp,gas	1197.86	J/mol×K	1158.78	Joback Calculated Property
Cp,gas	1206.13	J/mol×K	1196.52	Joback Calculated Property
Cp,gas	1213.13	J/mol×K	1234.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(1-(4-fluorophenyl)ethyl) ester.

Sources

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

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