Chemical Properties of Sebacic acid, ethyl 1-(pentafluorophenyl)ethyl ester

InChI

InChI=1S/C20H25F5O4/c1-3-28-13(26)10-8-6-4-5-7-9-11-14(27)29-12(2)15-16(21)18(23)20(25)19(24)17(15)22/h12H,3-11H2,1-2H3

InChI Key

SYVMGSZAWFILFZ-UHFFFAOYSA-N

Formula

C20H25F5O4

SMILES

CCOC(=O)CCCCCCCCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

424.40

• 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	0.9891		Relay (1.0) Calculated Property
ΔfG°	-1262.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1670.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.10	kJ/mol	Joback Calculated Property
ΔvapH°	102.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-6.82		Relay (1.0) Calculated Property
logPoct/wat	5.670		Crippen Calculated Property
McVol	292.630	ml/mol	McGowan Calculated Property
Pc	1105.94	kPa	Joback Calculated Property
Inp	[2244.00; 2244.00]
Inp	2244.00		NIST
Inp	2244.00		NIST
Tboil	598.32	K	Relay (1.0) Calculated Property
Tc	780.20	K	Relay (1.0) Calculated Property
Tfus	320.27	K	Relay (1.0) Calculated Property
Vc	1.102	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[912.14; 983.04]	J/mol×K	[857.07; 1049.66]
Cp,gas	912.14	J/mol×K	857.07	Joback Calculated Property
Cp,gas	926.58	J/mol×K	889.17	Joback Calculated Property
Cp,gas	939.96	J/mol×K	921.27	Joback Calculated Property
Cp,gas	952.29	J/mol×K	953.37	Joback Calculated Property
Cp,gas	963.58	J/mol×K	985.46	Joback Calculated Property
Cp,gas	973.83	J/mol×K	1017.56	Joback Calculated Property
Cp,gas	983.04	J/mol×K	1049.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, ethyl 1-(pentafluorophenyl)ethyl ester.

Sources

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

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