Chemical Properties of Succinic acid, 2-methylhex-3-yl 1-phenyl-2,2,2-trifluoroethyl ester

InChI

InChI=1S/C19H25F3O4/c1-4-8-15(13(2)3)25-16(23)11-12-17(24)26-18(19(20,21)22)14-9-6-5-7-10-14/h5-7,9-10,13,15,18H,4,8,11-12H2,1-3H3

InChI Key

PXGXUFPLTBGUQJ-UHFFFAOYSA-N

Formula

C19H25F3O4

SMILES

CCCC(OC(=O)CCC(=O)OC(c1ccccc1)C(F)(F)F)C(C)C

Molecular Weight¹

374.39

• 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	0.7707		Relay (1.0) Calculated Property
ΔfG°	-835.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-1485.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.84	kJ/mol	Joback Calculated Property
ΔvapH°	89.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-4.65		Relay (1.0) Calculated Property
logPoct/wat	4.981		Crippen Calculated Property
McVol	275.000	ml/mol	McGowan Calculated Property
Pc	1360.63	kPa	Joback Calculated Property
Inp	[1950.00; 1950.00]
Inp	1950.00		NIST
Inp	1950.00		NIST
Tboil	591.13	K	Relay (1.0) Calculated Property
Tc	770.76	K	Relay (1.0) Calculated Property
Tfus	288.84	K	Relay (1.0) Calculated Property
Vc	0.982	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[845.14; 921.13]	J/mol×K	[806.64; 1002.54]
Cp,gas	845.14	J/mol×K	806.64	Joback Calculated Property
Cp,gas	860.38	J/mol×K	839.29	Joback Calculated Property
Cp,gas	874.53	J/mol×K	871.94	Joback Calculated Property
Cp,gas	887.64	J/mol×K	904.59	Joback Calculated Property
Cp,gas	899.75	J/mol×K	937.24	Joback Calculated Property
Cp,gas	910.90	J/mol×K	969.89	Joback Calculated Property
Cp,gas	921.13	J/mol×K	1002.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylhex-3-yl 1-phenyl-2,2,2-trifluoroethyl ester.

Sources

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

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