Chemical Properties of Succinic acid, nonyl 4-trifluoromethylbenzyl ester

InChI

InChI=1S/C21H29F3O4/c1-2-3-4-5-6-7-8-15-27-19(25)13-14-20(26)28-16-17-9-11-18(12-10-17)21(22,23)24/h9-12H,2-8,13-16H2,1H3

InChI Key

ZANWCLYPJSLBDQ-UHFFFAOYSA-N

Formula

C21H29F3O4

SMILES

CCCCCCCCCOC(=O)CCC(=O)OCc1ccc(C(F)(F)F)cc1

Molecular Weight¹

402.45

• 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°	-820.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-1338.39	kJ/mol	Joback Calculated Property
ΔfusH°	51.20	kJ/mol	Joback Calculated Property
ΔvapH°	79.84	kJ/mol	Joback Calculated Property
log10WS	-6.62		Crippen Calculated Property
logPoct/wat	5.823		Crippen Calculated Property
McVol	303.180	ml/mol	McGowan Calculated Property
Pc	1155.35	kPa	Joback Calculated Property
Inp	[2408.00; 2408.00]
Inp	2408.00		NIST
Inp	2408.00		NIST
Tboil	858.70	K	Joback Calculated Property
Tc	1054.45	K	Joback Calculated Property
Tfus	513.88	K	Joback Calculated Property
Vc	1.194	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[959.81; 1036.75]	J/mol×K	[858.70; 1054.45]
Cp,gas	959.81	J/mol×K	858.70	Joback Calculated Property
Cp,gas	975.20	J/mol×K	891.33	Joback Calculated Property
Cp,gas	989.51	J/mol×K	923.95	Joback Calculated Property
Cp,gas	1002.78	J/mol×K	956.58	Joback Calculated Property
Cp,gas	1015.04	J/mol×K	989.20	Joback Calculated Property
Cp,gas	1026.35	J/mol×K	1021.83	Joback Calculated Property
Cp,gas	1036.75	J/mol×K	1054.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, nonyl 4-trifluoromethylbenzyl ester.

Sources

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

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