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

InChI

InChI=1S/C13H10BrCl2F3O4/c14-6-9(13(17,18)19)23-11(21)5-4-10(20)22-8-3-1-2-7(15)12(8)16/h1-3,9H,4-6H2

InChI Key

WLDGJVRGUKGPBW-UHFFFAOYSA-N

Formula

C13H10BrCl2F3O4

SMILES

O=C(CCC(=O)OC(CBr)C(F)(F)F)Oc1cccc(Cl)c1Cl

Molecular Weight¹

438.02

• 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°	-909.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-1195.17	kJ/mol	Joback Calculated Property
ΔfusH°	40.24	kJ/mol	Joback Calculated Property
ΔvapH°	77.51	kJ/mol	Joback Calculated Property
log10WS	-5.32		Crippen Calculated Property
logPoct/wat	4.548		Crippen Calculated Property
McVol	232.440	ml/mol	McGowan Calculated Property
Pc	2092.66	kPa	Joback Calculated Property
Inp	[2219.00; 2219.00]
Inp	2219.00		NIST
Inp	2219.00		NIST
Tboil	821.22	K	Joback Calculated Property
Tc	1037.10	K	Joback Calculated Property
Tfus	540.88	K	Joback Calculated Property
Vc	0.900	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[591.93; 634.77]	J/mol×K	[821.22; 1037.10]
Cp,gas	591.93	J/mol×K	821.22	Joback Calculated Property
Cp,gas	601.01	J/mol×K	857.20	Joback Calculated Property
Cp,gas	609.26	J/mol×K	893.18	Joback Calculated Property
Cp,gas	616.73	J/mol×K	929.16	Joback Calculated Property
Cp,gas	623.45	J/mol×K	965.14	Joback Calculated Property
Cp,gas	629.45	J/mol×K	1001.12	Joback Calculated Property
Cp,gas	634.77	J/mol×K	1037.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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