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

InChI

InChI=1S/C9H12BrF3O4/c1-2-16-7(14)3-4-8(15)17-6(5-10)9(11,12)13/h6H,2-5H2,1H3

InChI Key

FHYCJGWPEZMKPJ-UHFFFAOYSA-N

Formula

C9H12BrF3O4

SMILES

CCOC(=O)CCC(=O)OC(CBr)C(F)(F)F

Molecular Weight¹

321.09

• 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	0.6695		Relay (1.0) Calculated Property
ΔfG°	-1012.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1482.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.23	kJ/mol	Joback Calculated Property
ΔvapH°	72.55	kJ/mol	Relay (1.0) Calculated Property
IE	10.52	eV	Relay (1.0) Calculated Property
log10WS	-2.44		Relay (1.0) Calculated Property
logPoct/wat	2.199		Crippen Calculated Property
McVol	175.360	ml/mol	McGowan Calculated Property
Pc	2429.05	kPa	Joback Calculated Property
Inp	[1358.00; 1358.00]
Inp	1358.00		NIST
Inp	1358.00		NIST
Tboil	507.77	K	Relay (1.0) Calculated Property
Tc	653.24	K	Relay (1.0) Calculated Property
Tfus	284.21	K	Relay (1.0) Calculated Property
Vc	0.620	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[435.35; 491.57]	J/mol×K	[618.20; 801.58]
Cp,gas	435.35	J/mol×K	618.20	Joback Calculated Property
Cp,gas	446.19	J/mol×K	648.76	Joback Calculated Property
Cp,gas	456.42	J/mol×K	679.33	Joback Calculated Property
Cp,gas	466.06	J/mol×K	709.89	Joback Calculated Property
Cp,gas	475.12	J/mol×K	740.46	Joback Calculated Property
Cp,gas	483.62	J/mol×K	771.02	Joback Calculated Property
Cp,gas	491.57	J/mol×K	801.58	Joback Calculated Property

Similar Compounds

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

Sources

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

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