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

InChI

InChI=1S/C14H12F3NO4/c1-9(14(15,16)17)21-12(19)6-7-13(20)22-11-4-2-10(8-18)3-5-11/h2-5,9H,6-7H2,1H3

InChI Key

KDBJGXDZRMNORF-UHFFFAOYSA-N

Formula

C14H12F3NO4

SMILES

CC(OC(=O)CCC(=O)Oc1ccc(C#N)cc1)C(F)(F)F

Molecular Weight¹

315.24

• 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	0.7573		Relay (1.0) Calculated Property
ΔfG°	-748.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-1203.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.05	kJ/mol	Joback Calculated Property
ΔvapH°	86.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	2.738		Crippen Calculated Property
McVol	205.930	ml/mol	McGowan Calculated Property
Pc	1911.91	kPa	Joback Calculated Property
Inp	[1912.00; 1912.00]
Inp	1912.00		NIST
Inp	1912.00		NIST
Tboil	592.54	K	Relay (1.0) Calculated Property
Tc	779.25	K	Relay (1.0) Calculated Property
Tfus	347.61	K	Relay (1.0) Calculated Property
Vc	0.738	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[586.93; 636.28]	J/mol×K	[800.18; 1008.78]
Cp,gas	586.93	J/mol×K	800.18	Joback Calculated Property
Cp,gas	597.24	J/mol×K	834.95	Joback Calculated Property
Cp,gas	606.67	J/mol×K	869.71	Joback Calculated Property
Cp,gas	615.27	J/mol×K	904.48	Joback Calculated Property
Cp,gas	623.05	J/mol×K	939.25	Joback Calculated Property
Cp,gas	630.04	J/mol×K	974.02	Joback Calculated Property
Cp,gas	636.28	J/mol×K	1008.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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