Chemical Properties of Succinic acid, 8-chlorooctyl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C18H22ClF3O4/c19-11-5-3-1-2-4-6-12-25-15(23)9-10-16(24)26-14-8-7-13(20)17(21)18(14)22/h7-8H,1-6,9-12H2

InChI Key

AVHUFWSSUQBTAO-UHFFFAOYSA-N

Formula

C18H22ClF3O4

SMILES

O=C(CCC(=O)Oc1ccc(F)c(F)c1F)OCCCCCCCCCl

Molecular Weight¹

394.81

• 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°	-880.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-1306.40	kJ/mol	Joback Calculated Property
ΔfusH°	54.26	kJ/mol	Joback Calculated Property
ΔvapH°	80.17	kJ/mol	Joback Calculated Property
log10WS	-5.98		Crippen Calculated Property
logPoct/wat	4.912		Crippen Calculated Property
McVol	273.150	ml/mol	McGowan Calculated Property
Pc	1331.98	kPa	Joback Calculated Property
Inp	[2526.00; 2526.00]
Inp	2526.00		NIST
Inp	2526.00		NIST
Tboil	840.68	K	Joback Calculated Property
Tc	1034.83	K	Joback Calculated Property
Tfus	532.61	K	Joback Calculated Property
Vc	1.087	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[808.76; 874.08]	J/mol×K	[840.68; 1034.83]
Cp,gas	808.76	J/mol×K	840.68	Joback Calculated Property
Cp,gas	822.02	J/mol×K	873.04	Joback Calculated Property
Cp,gas	834.31	J/mol×K	905.40	Joback Calculated Property
Cp,gas	845.66	J/mol×K	937.76	Joback Calculated Property
Cp,gas	856.06	J/mol×K	970.11	Joback Calculated Property
Cp,gas	865.53	J/mol×K	1002.47	Joback Calculated Property
Cp,gas	874.08	J/mol×K	1034.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 8-chlorooctyl 2,3,4-trifluorophenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.