Chemical Properties of Succinic acid, tetradecyl 2-(trifluoromethyl)benzyl ester

InChI

InChI=1S/C26H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-32-24(30)18-19-25(31)33-21-22-16-13-14-17-23(22)26(27,28)29/h13-14,16-17H,2-12,15,18-21H2,1H3

InChI Key

ODVFOYCHNGXOPL-UHFFFAOYSA-N

Formula

C26H39F3O4

SMILES

CCCCCCCCCCCCCCOC(=O)CCC(=O)OCc1ccccc1C(F)(F)F

Molecular Weight¹

472.58

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	67.31	kJ/mol	Joback Calculated Property
ΔvapH°	121.14	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.35		Relay (1.0) Calculated Property
logPoct/wat	7.773		Crippen Calculated Property
McVol	373.630	ml/mol	McGowan Calculated Property
Pc	814.46	kPa	Joback Calculated Property
Inp	[2919.00; 2919.00]
Inp	2919.00		NIST
Inp	2919.00		NIST
Tboil	675.85	K	Relay (1.0) Calculated Property
Tfus	311.46	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[558.14; 1278.03]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.26600e+00
Coefficient B			2.38702e+00
Coefficient C			-1.38656e-03
Coefficient D			2.73300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	558.14	J/mol×K	273.00	Calculated Property
Cp,gas	687.30	J/mol×K	353.78	Calculated Property
Cp,gas	802.15	J/mol×K	434.56	Calculated Property
Cp,gas	903.55	J/mol×K	515.33	Calculated Property
Cp,gas	992.38	J/mol×K	596.11	Calculated Property
Cp,gas	1069.48	J/mol×K	676.89	Calculated Property
Cp,gas	1135.74	J/mol×K	757.67	Calculated Property
Cp,gas	1192.00	J/mol×K	838.44	Calculated Property
Cp,gas	1239.14	J/mol×K	919.22	Calculated Property
Cp,gas	1278.03	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, tetradecyl 2-(trifluoromethyl)benzyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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