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

InChI

InChI=1S/C9H10Cl3F3O4/c1-5(9(13,14)15)19-7(17)3-2-6(16)18-4-8(10,11)12/h5H,2-4H2,1H3

InChI Key

NWSWYNHQKIDTDF-UHFFFAOYSA-N

Formula

C9H10Cl3F3O4

SMILES

CC(OC(=O)CCC(=O)OCC(Cl)(Cl)Cl)C(F)(F)F

Molecular Weight¹

345.53

• 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	0.6295		Relay (... Calculated Property
ΔfG°	-1059.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-1514.13	kJ/mol	Relay (... Calculated Property
ΔfusH°	28.12	kJ/mol	Joback Calculated Property
ΔvapH°	72.07	kJ/mol	Relay (... Calculated Property
IE	10.85	eV	Relay (... Calculated Property
log10WS	-3.87		Relay (... Calculated Property
logPoct/wat	3.174		Crippen Calculated Property
McVol	194.580	ml/mol	McGowan Calculated Property
Pc	2085.03	kPa	Joback Calculated Property
Inp	[1482.00; 1482.00]
Inp	1482.00		NIST
Inp	1482.00		NIST
Tboil	513.93	K	Relay (... Calculated Property
Tc	686.49	K	Relay (... Calculated Property
Tfus	342.63	K	Relay (... Calculated Property
Vc	0.707	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[475.90; 524.81]	J/mol×K	[661.10; 854.41]
Cp,gas	475.90	J/mol×K	661.10	Joback Calculated Property
Cp,gas	485.71	J/mol×K	693.32	Joback Calculated Property
Cp,gas	494.82	J/mol×K	725.54	Joback Calculated Property
Cp,gas	503.25	J/mol×K	757.76	Joback Calculated Property
Cp,gas	511.04	J/mol×K	789.97	Joback Calculated Property
Cp,gas	518.22	J/mol×K	822.19	Joback Calculated Property
Cp,gas	524.81	J/mol×K	854.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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