Chemical Properties of Succinic acid, 4-chloro-3-methylphenyl 1-bromo-3,3,3-trifluoroprop-2-yl ester

InChI

InChI=1S/C14H13BrClF3O4/c1-8-6-9(2-3-10(8)16)22-12(20)4-5-13(21)23-11(7-15)14(17,18)19/h2-3,6,11H,4-5,7H2,1H3

InChI Key

VDLPSOBOTMTZAS-UHFFFAOYSA-N

Formula

C14H13BrClF3O4

SMILES

Cc1cc(OC(=O)CCC(=O)OC(CBr)C(F)(F)F)ccc1Cl

Molecular Weight¹

417.60

• 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°	-889.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-1200.07	kJ/mol	Joback Calculated Property
ΔfusH°	38.64	kJ/mol	Joback Calculated Property
ΔvapH°	75.36	kJ/mol	Joback Calculated Property
log10WS	-5.11		Crippen Calculated Property
logPoct/wat	4.203		Crippen Calculated Property
McVol	234.290	ml/mol	McGowan Calculated Property
Pc	1984.12	kPa	Joback Calculated Property
Inp	[2172.00; 2172.00]
Inp	2172.00		NIST
Inp	2172.00		NIST
Tboil	806.67	K	Joback Calculated Property
Tc	1017.28	K	Joback Calculated Property
Tfus	522.23	K	Joback Calculated Property
Vc	0.907	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[624.78; 675.73]	J/mol×K	[806.67; 1017.28]
Cp,gas	624.78	J/mol×K	806.67	Joback Calculated Property
Cp,gas	635.32	J/mol×K	841.77	Joback Calculated Property
Cp,gas	644.99	J/mol×K	876.87	Joback Calculated Property
Cp,gas	653.84	J/mol×K	911.98	Joback Calculated Property
Cp,gas	661.89	J/mol×K	947.08	Joback Calculated Property
Cp,gas	669.17	J/mol×K	982.18	Joback Calculated Property
Cp,gas	675.73	J/mol×K	1017.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chloro-3-methylphenyl 1-bromo-3,3,3-trifluoroprop-2-yl ester.

Sources

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

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