Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 4-bromo-2-methoxyphenyl ester

InChI

InChI=1S/C14H14BrF3O5/c1-8(14(16,17)18)22-12(19)5-6-13(20)23-10-4-3-9(15)7-11(10)21-2/h3-4,7-8H,5-6H2,1-2H3

InChI Key

RCFPWYLMWCRPQU-UHFFFAOYSA-N

Formula

C14H14BrF3O5

SMILES

COc1cc(Br)ccc1OC(=O)CCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

399.16

• 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	0.7959		Relay (1.0) Calculated Property
ΔfG°	-982.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1461.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.63	kJ/mol	Joback Calculated Property
ΔvapH°	87.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-4.31		Relay (1.0) Calculated Property
logPoct/wat	3.637		Crippen Calculated Property
McVol	227.920	ml/mol	McGowan Calculated Property
Pc	2019.95	kPa	Joback Calculated Property
Inp	[2049.00; 2049.00]
Inp	2049.00		NIST
Inp	2049.00		NIST
Tboil	601.70	K	Relay (1.0) Calculated Property
Tc	780.04	K	Relay (1.0) Calculated Property
Tfus	344.34	K	Relay (1.0) Calculated Property
Vc	0.808	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[627.90; 682.40]	J/mol×K	[791.66; 997.77]
Cp,gas	627.90	J/mol×K	791.66	Joback Calculated Property
Cp,gas	639.20	J/mol×K	826.01	Joback Calculated Property
Cp,gas	649.58	J/mol×K	860.36	Joback Calculated Property
Cp,gas	659.08	J/mol×K	894.72	Joback Calculated Property
Cp,gas	667.70	J/mol×K	929.07	Joback Calculated Property
Cp,gas	675.47	J/mol×K	963.42	Joback Calculated Property
Cp,gas	682.40	J/mol×K	997.77	Joback Calculated Property

Similar Compounds

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

Sources

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

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