Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 3-phenoxybenzyl ester

InChI

InChI=1S/C20H19F3O5/c1-14(20(21,22)23)27-19(25)11-10-18(24)26-13-15-6-5-9-17(12-15)28-16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3

InChI Key

WKPFESIEVIVMMO-UHFFFAOYSA-N

Formula

C20H19F3O5

SMILES

CC(OC(=O)CCC(=O)OCc1cccc(Oc2ccccc2)c1)C(F)(F)F

Molecular Weight¹

396.36

• 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	0.8592		Relay (1.0) Calculated Property
ΔfG°	-824.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1374.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.31	kJ/mol	Joback Calculated Property
ΔvapH°	105.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-5.19		Relay (1.0) Calculated Property
logPoct/wat	4.796		Crippen Calculated Property
McVol	271.200	ml/mol	McGowan Calculated Property
Pc	1569.72	kPa	Joback Calculated Property
Inp	[2329.00; 2329.00]
Inp	2329.00		NIST
Inp	2329.00		NIST
Tboil	664.41	K	Relay (1.0) Calculated Property
Tc	857.42	K	Relay (1.0) Calculated Property
Tfus	314.96	K	Relay (1.0) Calculated Property
Vc	0.974	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[832.02; 889.28]	J/mol×K	[884.48; 1099.80]
Cp,gas	832.02	J/mol×K	884.48	Joback Calculated Property
Cp,gas	844.48	J/mol×K	920.37	Joback Calculated Property
Cp,gas	855.71	J/mol×K	956.25	Joback Calculated Property
Cp,gas	865.76	J/mol×K	992.14	Joback Calculated Property
Cp,gas	874.68	J/mol×K	1028.03	Joback Calculated Property
Cp,gas	882.50	J/mol×K	1063.92	Joback Calculated Property
Cp,gas	889.28	J/mol×K	1099.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 3-phenoxybenzyl ester.

Sources

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

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