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

InChI

InChI=1S/C21H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27-19(25)15-16-20(26)28-18-21(22,23)24/h2-18H2,1H3

InChI Key

FDBNPRPOAIQYCT-UHFFFAOYSA-N

Formula

C21H37F3O4

SMILES

CCCCCCCCCCCCCCCOC(=O)CCC(=O)OCC(F)(F)F

Molecular Weight¹

410.51

• 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	1.0893		Relay (1.0) Calculated Property
ΔfG°	-923.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1716.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.55	kJ/mol	Joback Calculated Property
ΔvapH°	104.85	kJ/mol	Relay (1.0) Calculated Property
IE	10.24	eV	Relay (1.0) Calculated Property
log10WS	-6.56		Relay (1.0) Calculated Property
logPoct/wat	6.507		Crippen Calculated Property
McVol	326.940	ml/mol	McGowan Calculated Property
Pc	942.10	kPa	Joback Calculated Property
Inp	[2313.00; 2313.00]
Inp	2313.00		NIST
Inp	2313.00		NIST
Tboil	612.76	K	Relay (1.0) Calculated Property
Tc	761.42	K	Relay (1.0) Calculated Property
Tfus	309.93	K	Relay (1.0) Calculated Property
Vc	1.255	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1053.02; 1145.60]	J/mol×K	[827.04; 1012.54]
Cp,gas	1053.02	J/mol×K	827.04	Joback Calculated Property
Cp,gas	1071.03	J/mol×K	857.96	Joback Calculated Property
Cp,gas	1087.97	J/mol×K	888.87	Joback Calculated Property
Cp,gas	1103.86	J/mol×K	919.79	Joback Calculated Property
Cp,gas	1118.74	J/mol×K	950.70	Joback Calculated Property
Cp,gas	1132.64	J/mol×K	981.62	Joback Calculated Property
Cp,gas	1145.60	J/mol×K	1012.54	Joback Calculated Property

Similar Compounds

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

Sources

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

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