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

InChI

InChI=1S/C13H20BrF3O4/c1-4-9(8(2)3)20-11(18)5-6-12(19)21-10(7-14)13(15,16)17/h8-10H,4-7H2,1-3H3

InChI Key

XETVBIJJHGAPBW-UHFFFAOYSA-N

Formula

C13H20BrF3O4

SMILES

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

Molecular Weight¹

377.19

• 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	0.7533		Relay (1.0) Calculated Property
ΔfG°	-983.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1590.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.54	kJ/mol	Joback Calculated Property
ΔvapH°	77.43	kJ/mol	Relay (1.0) Calculated Property
IE	10.19	eV	Relay (1.0) Calculated Property
log10WS	-3.75		Relay (1.0) Calculated Property
logPoct/wat	3.613		Crippen Calculated Property
McVol	231.720	ml/mol	McGowan Calculated Property
Pc	1740.46	kPa	Joback Calculated Property
Inp	[1612.00; 1612.00]
Inp	1612.00		NIST
Inp	1612.00		NIST
Tboil	550.46	K	Relay (1.0) Calculated Property
Tc	688.81	K	Relay (1.0) Calculated Property
Tfus	287.96	K	Relay (1.0) Calculated Property
Vc	0.812	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[640.54; 709.80]	J/mol×K	[708.84; 893.25]
Cp,gas	640.54	J/mol×K	708.84	Joback Calculated Property
Cp,gas	653.99	J/mol×K	739.58	Joback Calculated Property
Cp,gas	666.65	J/mol×K	770.31	Joback Calculated Property
Cp,gas	678.54	J/mol×K	801.05	Joback Calculated Property
Cp,gas	689.68	J/mol×K	831.78	Joback Calculated Property
Cp,gas	700.09	J/mol×K	862.52	Joback Calculated Property
Cp,gas	709.80	J/mol×K	893.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylpent-3-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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