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

InChI

InChI=1S/C22H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28-20(26)16-17-21(27)29-19-22(23,24)25/h2-19H2,1H3

InChI Key

ONDWRZIPRCSVOI-UHFFFAOYSA-N

Formula

C22H39F3O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCC(F)(F)F

Molecular Weight¹

424.54

• 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).
• 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
ΔfG°	-915.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-1584.09	kJ/mol	Joback Calculated Property
ΔfusH°	60.14	kJ/mol	Joback Calculated Property
ΔvapH°	79.13	kJ/mol	Joback Calculated Property
log10WS	-7.42		Crippen Calculated Property
logPoct/wat	6.897		Crippen Calculated Property
McVol	341.030	ml/mol	McGowan Calculated Property
Pc	888.94	kPa	Joback Calculated Property
Inp	[2405.00; 2405.00]
Inp	2405.00		NIST
Inp	2405.00		NIST
Tboil	849.92	K	Joback Calculated Property
Tc	1041.12	K	Joback Calculated Property
Tfus	486.21	K	Joback Calculated Property
Vc	1.359	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1114.30; 1209.24]	J/mol×K	[849.92; 1041.12]
Cp,gas	1114.30	J/mol×K	849.92	Joback Calculated Property
Cp,gas	1132.90	J/mol×K	881.79	Joback Calculated Property
Cp,gas	1150.34	J/mol×K	913.65	Joback Calculated Property
Cp,gas	1166.65	J/mol×K	945.52	Joback Calculated Property
Cp,gas	1181.88	J/mol×K	977.39	Joback Calculated Property
Cp,gas	1196.06	J/mol×K	1009.26	Joback Calculated Property
Cp,gas	1209.24	J/mol×K	1041.12	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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