Chemical Properties of Succinic acid, 2-methylhex-3-yl 4-trifluoromethylbenzyl ester

InChI

InChI=1S/C19H25F3O4/c1-4-5-16(13(2)3)26-18(24)11-10-17(23)25-12-14-6-8-15(9-7-14)19(20,21)22/h6-9,13,16H,4-5,10-12H2,1-3H3

InChI Key

MPRBIDNFGMVPQL-UHFFFAOYSA-N

Formula

C19H25F3O4

SMILES

CCCC(OC(=O)CCC(=O)OCc1ccc(C(F)(F)F)cc1)C(C)C

Molecular Weight¹

374.39

• 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°	-842.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1307.67	kJ/mol	Joback Calculated Property
ΔfusH°	38.97	kJ/mol	Joback Calculated Property
ΔvapH°	74.62	kJ/mol	Joback Calculated Property
log10WS	-5.65		Crippen Calculated Property
logPoct/wat	4.897		Crippen Calculated Property
McVol	275.000	ml/mol	McGowan Calculated Property
Pc	1337.84	kPa	Joback Calculated Property
Inp	[2069.00; 2069.00]
Inp	2069.00		NIST
Inp	2069.00		NIST
Tboil	812.06	K	Joback Calculated Property
Tc	1006.99	K	Joback Calculated Property
Tfus	461.34	K	Joback Calculated Property
Vc	1.071	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[843.87; 918.89]	J/mol×K	[812.06; 1006.99]
Cp,gas	843.87	J/mol×K	812.06	Joback Calculated Property
Cp,gas	858.88	J/mol×K	844.55	Joback Calculated Property
Cp,gas	872.83	J/mol×K	877.04	Joback Calculated Property
Cp,gas	885.78	J/mol×K	909.53	Joback Calculated Property
Cp,gas	897.74	J/mol×K	942.01	Joback Calculated Property
Cp,gas	908.77	J/mol×K	974.50	Joback Calculated Property
Cp,gas	918.89	J/mol×K	1006.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylhex-3-yl 4-trifluoromethylbenzyl ester.

Sources

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

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