Chemical Properties of Succinic acid, octyl 1-phenyl-2,2,2-trifluoroethyl ester

InChI

InChI=1S/C20H27F3O4/c1-2-3-4-5-6-10-15-26-17(24)13-14-18(25)27-19(20(21,22)23)16-11-8-7-9-12-16/h7-9,11-12,19H,2-6,10,13-15H2,1H3

InChI Key

HCBTULWMRDDEOE-UHFFFAOYSA-N

Formula

C20H27F3O4

SMILES

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

Molecular Weight¹

388.42

• 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	0.9032		Relay (1.0) Calculated Property
ΔfG°	-821.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-1479.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.47	kJ/mol	Joback Calculated Property
ΔvapH°	97.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-5.48		Relay (1.0) Calculated Property
logPoct/wat	5.517		Crippen Calculated Property
McVol	289.090	ml/mol	McGowan Calculated Property
Pc	1254.81	kPa	Joback Calculated Property
Inp	[2194.00; 2194.00]
Inp	2194.00		NIST
Inp	2194.00		NIST
Tboil	611.93	K	Relay (1.0) Calculated Property
Tc	791.76	K	Relay (1.0) Calculated Property
Tfus	293.67	K	Relay (1.0) Calculated Property
Vc	1.058	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[902.14; 978.53]	J/mol×K	[830.40; 1024.08]
Cp,gas	902.14	J/mol×K	830.40	Joback Calculated Property
Cp,gas	917.38	J/mol×K	862.68	Joback Calculated Property
Cp,gas	931.56	J/mol×K	894.96	Joback Calculated Property
Cp,gas	944.72	J/mol×K	927.24	Joback Calculated Property
Cp,gas	956.91	J/mol×K	959.52	Joback Calculated Property
Cp,gas	968.16	J/mol×K	991.80	Joback Calculated Property
Cp,gas	978.53	J/mol×K	1024.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, octyl 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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