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

InChI

InChI=1S/C13H8Cl5F3O4/c1-4(13(19,20)21)24-5(22)2-3-6(23)25-12-10(17)8(15)7(14)9(16)11(12)18/h4H,2-3H2,1H3

InChI Key

FRWALXJVJAHYSR-UHFFFAOYSA-N

Formula

C13H8Cl5F3O4

SMILES

CC(OC(=O)CCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(F)(F)F

Molecular Weight¹

462.46

• 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	0.8351		Relay (1.0) Calculated Property
ΔfG°	-988.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-1402.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.38	kJ/mol	Joback Calculated Property
ΔvapH°	100.39	kJ/mol	Relay (1.0) Calculated Property
IE	9.47	eV	Relay (1.0) Calculated Property
log10WS	-6.85		Relay (1.0) Calculated Property
logPoct/wat	6.133		Crippen Calculated Property
McVol	251.660	ml/mol	McGowan Calculated Property
Pc	1720.31	kPa	Joback Calculated Property
Inp	[2314.00; 2314.00]
Inp	2314.00		NIST
Inp	2314.00		NIST
Tboil	618.75	K	Relay (1.0) Calculated Property
Tc	860.28	K	Relay (1.0) Calculated Property
Tfus	394.22	K	Relay (1.0) Calculated Property
Vc	0.904	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[615.37; 646.99]	J/mol×K	[882.29; 1101.69]
Cp,gas	615.37	J/mol×K	882.29	Joback Calculated Property
Cp,gas	622.65	J/mol×K	918.86	Joback Calculated Property
Cp,gas	629.11	J/mol×K	955.42	Joback Calculated Property
Cp,gas	634.76	J/mol×K	991.99	Joback Calculated Property
Cp,gas	639.61	J/mol×K	1028.55	Joback Calculated Property
Cp,gas	643.69	J/mol×K	1065.12	Joback Calculated Property
Cp,gas	646.99	J/mol×K	1101.69	Joback Calculated Property

Similar Compounds

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

Sources

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

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