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

InChI

InChI=1S/C22H29F5O5/c1-2-3-12-30-15(28)10-8-6-4-5-7-9-11-16(29)31-13-14-32-22-20(26)18(24)17(23)19(25)21(22)27/h2-14H2,1H3

InChI Key

VQMORFDMMGKYES-UHFFFAOYSA-N

Formula

C22H29F5O5

SMILES

CCCCOC(=O)CCCCCCCCC(=O)OCCOc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

468.45

• 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	1.1721		Relay (1.0) Calculated Property
ΔfG°	-1348.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-1790.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.99	kJ/mol	Joback Calculated Property
ΔvapH°	110.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-7.39		Relay (1.0) Calculated Property
logPoct/wat	5.768		Crippen Calculated Property
McVol	326.680	ml/mol	McGowan Calculated Property
Pc	962.08	kPa	Joback Calculated Property
Inp	[2505.00; 2505.00]
Inp	2505.00		NIST
Inp	2505.00		NIST
Tboil	640.34	K	Relay (1.0) Calculated Property
Tc	803.54	K	Relay (1.0) Calculated Property
Tfus	307.10	K	Relay (1.0) Calculated Property
Vc	1.241	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1059.42; 1127.70]	J/mol×K	[925.69; 1136.12]
Cp,gas	1059.42	J/mol×K	925.69	Joback Calculated Property
Cp,gas	1074.42	J/mol×K	960.76	Joback Calculated Property
Cp,gas	1087.98	J/mol×K	995.83	Joback Calculated Property
Cp,gas	1100.09	J/mol×K	1030.91	Joback Calculated Property
Cp,gas	1110.74	J/mol×K	1065.98	Joback Calculated Property
Cp,gas	1119.95	J/mol×K	1101.05	Joback Calculated Property
Cp,gas	1127.70	J/mol×K	1136.12	Joback Calculated Property

Similar Compounds

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

Sources

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

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