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

InChI

InChI=1S/C12H16BrF3O4/c1-8(2)5-6-19-10(17)3-4-11(18)20-9(7-13)12(14,15)16/h5,9H,3-4,6-7H2,1-2H3

InChI Key

BKGAOIMVEOTFFV-UHFFFAOYSA-N

Formula

C12H16BrF3O4

SMILES

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

Molecular Weight¹

361.15

• 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	0.6991		Relay (1.0) Calculated Property
ΔfG°	-915.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1468.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.89	kJ/mol	Joback Calculated Property
ΔvapH°	78.36	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-3.66		Relay (1.0) Calculated Property
logPoct/wat	3.145		Crippen Calculated Property
McVol	213.330	ml/mol	McGowan Calculated Property
Pc	1957.87	kPa	Joback Calculated Property
Inp	[1660.00; 1660.00]
Inp	1660.00		NIST
Inp	1660.00		NIST
Tboil	548.12	K	Relay (1.0) Calculated Property
Tc	691.90	K	Relay (1.0) Calculated Property
Tfus	298.57	K	Relay (1.0) Calculated Property
Vc	0.736	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[563.20; 625.76]	J/mol×K	[690.88; 878.70]
Cp,gas	563.20	J/mol×K	690.88	Joback Calculated Property
Cp,gas	575.34	J/mol×K	722.18	Joback Calculated Property
Cp,gas	586.75	J/mol×K	753.49	Joback Calculated Property
Cp,gas	597.46	J/mol×K	784.79	Joback Calculated Property
Cp,gas	607.52	J/mol×K	816.09	Joback Calculated Property
Cp,gas	616.94	J/mol×K	847.40	Joback Calculated Property
Cp,gas	625.76	J/mol×K	878.70	Joback Calculated Property

Similar Compounds

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

Sources

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

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