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

InChI

InChI=1S/C18H31F3O4/c1-2-3-4-5-6-7-8-9-10-11-14-24-16(22)12-13-17(23)25-15-18(19,20)21/h2-15H2,1H3

InChI Key

VBBZKOOROOBMCB-UHFFFAOYSA-N

Formula

C18H31F3O4

SMILES

CCCCCCCCCCCCOC(=O)CCC(=O)OCC(F)(F)F

Molecular Weight¹

368.43

• 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	0.9829		Relay (1.0) Calculated Property
ΔfG°	-948.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1658.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.78	kJ/mol	Joback Calculated Property
ΔvapH°	93.25	kJ/mol	Relay (1.0) Calculated Property
IE	10.19	eV	Relay (1.0) Calculated Property
log10WS	-5.66		Relay (1.0) Calculated Property
logPoct/wat	5.336		Crippen Calculated Property
McVol	284.670	ml/mol	McGowan Calculated Property
Pc	1133.67	kPa	Joback Calculated Property
Inp	[2020.00; 2020.00]
Inp	2020.00		NIST
Inp	2020.00		NIST
Tboil	584.36	K	Relay (1.0) Calculated Property
Tc	733.46	K	Relay (1.0) Calculated Property
Tfus	296.58	K	Relay (1.0) Calculated Property
Vc	1.090	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[873.84; 959.76]	J/mol×K	[758.40; 931.85]
Cp,gas	873.84	J/mol×K	758.40	Joback Calculated Property
Cp,gas	890.30	J/mol×K	787.31	Joback Calculated Property
Cp,gas	905.86	J/mol×K	816.22	Joback Calculated Property
Cp,gas	920.57	J/mol×K	845.12	Joback Calculated Property
Cp,gas	934.44	J/mol×K	874.03	Joback Calculated Property
Cp,gas	947.49	J/mol×K	902.94	Joback Calculated Property
Cp,gas	959.76	J/mol×K	931.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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