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

InChI

InChI=1S/C10H11BrF6O4/c1-5(9(12,13)14)20-7(18)2-3-8(19)21-6(4-11)10(15,16)17/h5-6H,2-4H2,1H3

InChI Key

PEJWYSLJAQCNSK-UHFFFAOYSA-N

Formula

C10H11BrF6O4

SMILES

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

Molecular Weight¹

389.09

• 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°	-1588.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-1917.72	kJ/mol	Joback Calculated Property
ΔfusH°	29.12	kJ/mol	Joback Calculated Property
ΔvapH°	54.33	kJ/mol	Joback Calculated Property
log10WS	-3.71		Crippen Calculated Property
logPoct/wat	3.130		Crippen Calculated Property
McVol	194.760	ml/mol	McGowan Calculated Property
Pc	2005.50	kPa	Joback Calculated Property
Inp	[1306.00; 1306.00]
Inp	1306.00		NIST
Inp	1306.00		NIST
Tboil	635.22	K	Joback Calculated Property
Tc	808.34	K	Joback Calculated Property
Tfus	384.96	K	Joback Calculated Property
Vc	0.779	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[512.40; 567.17]	J/mol×K	[635.22; 808.34]
Cp,gas	512.40	J/mol×K	635.22	Joback Calculated Property
Cp,gas	523.11	J/mol×K	664.07	Joback Calculated Property
Cp,gas	533.14	J/mol×K	692.93	Joback Calculated Property
Cp,gas	542.54	J/mol×K	721.78	Joback Calculated Property
Cp,gas	551.33	J/mol×K	750.64	Joback Calculated Property
Cp,gas	559.52	J/mol×K	779.49	Joback Calculated Property
Cp,gas	567.17	J/mol×K	808.34	Joback Calculated Property

Similar Compounds

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

Sources

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

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