Chemical Properties of Sebacic acid, 2,5-difluorobenzyl heptyl ester

InChI

InChI=1S/C24H36F2O4/c1-2-3-4-9-12-17-29-23(27)13-10-7-5-6-8-11-14-24(28)30-19-20-18-21(25)15-16-22(20)26/h15-16,18H,2-14,17,19H2,1H3

InChI Key

SWMDNXGPBIUTOU-UHFFFAOYSA-N

Formula

C24H36F2O4

SMILES

CCCCCCCOC(=O)CCCCCCCCC(=O)OCc1cc(F)ccc1F

Molecular Weight¹

426.54

• 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	1.1382		Relay (1.0) Calculated Property
ΔfG°	-613.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-1266.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.91	kJ/mol	Joback Calculated Property
ΔvapH°	116.66	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-6.87		Relay (1.0) Calculated Property
logPoct/wat	6.642		Crippen Calculated Property
McVol	343.680	ml/mol	McGowan Calculated Property
Pc	965.07	kPa	Joback Calculated Property
Inp	[2828.00; 2828.00]
Inp	2828.00		NIST
Inp	2828.00		NIST
Tboil	661.22	K	Relay (1.0) Calculated Property
Tc	847.02	K	Relay (1.0) Calculated Property
Tfus	306.59	K	Relay (1.0) Calculated Property
Vc	1.302	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1132.84; 1212.71]	J/mol×K	[936.28; 1146.56]
Cp,gas	1132.84	J/mol×K	936.28	Joback Calculated Property
Cp,gas	1149.49	J/mol×K	971.33	Joback Calculated Property
Cp,gas	1164.76	J/mol×K	1006.37	Joback Calculated Property
Cp,gas	1178.68	J/mol×K	1041.42	Joback Calculated Property
Cp,gas	1191.29	J/mol×K	1076.47	Joback Calculated Property
Cp,gas	1202.62	J/mol×K	1111.51	Joback Calculated Property
Cp,gas	1212.71	J/mol×K	1146.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,5-difluorobenzyl heptyl ester.

Sources

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

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