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

InChI

InChI=1S/C19H25F3O5/c1-4-5-16(13(2)3)26-18(24)11-10-17(23)25-12-14-6-8-15(9-7-14)27-19(20,21)22/h6-9,13,16H,4-5,10-12H2,1-3H3

InChI Key

IJKQCMGRQGZFKS-UHFFFAOYSA-N

Formula

C19H25F3O5

SMILES

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

Molecular Weight¹

390.39

• 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	0.8882		Relay (1.0) Calculated Property
ΔfG°	-947.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1625.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.16	kJ/mol	Joback Calculated Property
ΔvapH°	89.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-5.04		Relay (1.0) Calculated Property
logPoct/wat	4.777		Crippen Calculated Property
McVol	280.870	ml/mol	McGowan Calculated Property
Pc	1321.35	kPa	Joback Calculated Property
Inp	[2068.00; 2068.00]
Inp	2068.00		NIST
Inp	2068.00		NIST
Tboil	611.11	K	Relay (1.0) Calculated Property
Tc	756.82	K	Relay (1.0) Calculated Property
Tfus	265.71	K	Relay (1.0) Calculated Property
Vc	1.019	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[872.55; 944.02]	J/mol×K	[834.48; 1030.78]
Cp,gas	872.55	J/mol×K	834.48	Joback Calculated Property
Cp,gas	887.15	J/mol×K	867.20	Joback Calculated Property
Cp,gas	900.63	J/mol×K	899.91	Joback Calculated Property
Cp,gas	913.04	J/mol×K	932.63	Joback Calculated Property
Cp,gas	924.39	J/mol×K	965.34	Joback Calculated Property
Cp,gas	934.71	J/mol×K	998.06	Joback Calculated Property
Cp,gas	944.02	J/mol×K	1030.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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