Chemical Properties of Succinic acid, heptadecyl 2,2,2-trifluoroethyl ester

InChI

InChI=1S/C23H41F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-21(27)17-18-22(28)30-20-23(24,25)26/h2-20H2,1H3

InChI Key

WGEHAPVCXBLUNL-UHFFFAOYSA-N

Formula

C23H41F3O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCC(F)(F)F

Molecular Weight¹

438.56

• 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	1.1596		Relay (1.0) Calculated Property
ΔfG°	-906.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1754.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.73	kJ/mol	Joback Calculated Property
ΔvapH°	112.77	kJ/mol	Relay (1.0) Calculated Property
IE	10.29	eV	Relay (1.0) Calculated Property
log10WS	-7.15		Relay (1.0) Calculated Property
logPoct/wat	7.287		Crippen Calculated Property
McVol	355.120	ml/mol	McGowan Calculated Property
Pc	840.16	kPa	Joback Calculated Property
Inp	[2502.00; 2502.00]
Inp	2502.00		NIST
Inp	2502.00		NIST
Tboil	629.06	K	Relay (1.0) Calculated Property
Tc	778.69	K	Relay (1.0) Calculated Property
Tfus	317.38	K	Relay (1.0) Calculated Property
Vc	1.363	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1176.26; 1273.65]	J/mol×K	[872.80; 1070.68]
Cp,gas	1176.26	J/mol×K	872.80	Joback Calculated Property
Cp,gas	1195.49	J/mol×K	905.78	Joback Calculated Property
Cp,gas	1213.46	J/mol×K	938.76	Joback Calculated Property
Cp,gas	1230.22	J/mol×K	971.74	Joback Calculated Property
Cp,gas	1245.80	J/mol×K	1004.72	Joback Calculated Property
Cp,gas	1260.26	J/mol×K	1037.70	Joback Calculated Property
Cp,gas	1273.65	J/mol×K	1070.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, heptadecyl 2,2,2-trifluoroethyl ester.

Sources

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

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