Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 4-biphenyl ester

InChI

InChI=1S/C19H17F3O4/c1-13(19(20,21)22)25-17(23)11-12-18(24)26-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3

InChI Key

NQDRJQVMFGYVFN-UHFFFAOYSA-N

Formula

C19H17F3O4

SMILES

CC(OC(=O)CCC(=O)Oc1ccc(-c2ccccc2)cc1)C(F)(F)F

Molecular Weight¹

366.33

• 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°	-727.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1065.86	kJ/mol	Joback Calculated Property
ΔfusH°	36.54	kJ/mol	Joback Calculated Property
ΔvapH°	77.28	kJ/mol	Joback Calculated Property
log10WS	-6.12		Crippen Calculated Property
logPoct/wat	4.533		Crippen Calculated Property
McVol	251.240	ml/mol	McGowan Calculated Property
Pc	1720.31	kPa	Joback Calculated Property
Inp	[2380.00; 2380.00]
Inp	2380.00		NIST
Inp	2380.00		NIST
Tboil	839.18	K	Joback Calculated Property
Tc	1055.66	K	Joback Calculated Property
Tfus	502.76	K	Joback Calculated Property
Vc	0.969	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[748.70; 810.03]	J/mol×K	[839.18; 1055.66]
Cp,gas	748.70	J/mol×K	839.18	Joback Calculated Property
Cp,gas	761.60	J/mol×K	875.26	Joback Calculated Property
Cp,gas	773.35	J/mol×K	911.34	Joback Calculated Property
Cp,gas	784.02	J/mol×K	947.42	Joback Calculated Property
Cp,gas	793.65	J/mol×K	983.50	Joback Calculated Property
Cp,gas	802.30	J/mol×K	1019.58	Joback Calculated Property
Cp,gas	810.03	J/mol×K	1055.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 4-biphenyl ester.

Sources

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

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