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

InChI

InChI=1S/C15H24BrF3O4/c1-3-5-6-11(4-2)10-22-13(20)7-8-14(21)23-12(9-16)15(17,18)19/h11-12H,3-10H2,1-2H3

InChI Key

NRGYBVLCZJZXOP-UHFFFAOYSA-N

Formula

C15H24BrF3O4

SMILES

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

Molecular Weight¹

405.25

• 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°	-964.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-1423.84	kJ/mol	Joback Calculated Property
ΔfusH°	40.24	kJ/mol	Joback Calculated Property
ΔvapH°	69.21	kJ/mol	Joback Calculated Property
log10WS	-4.79		Crippen Calculated Property
logPoct/wat	4.395		Crippen Calculated Property
McVol	259.900	ml/mol	McGowan Calculated Property
Pc	1482.71	kPa	Joback Calculated Property
Inp	[1857.00; 1857.00]
Inp	1857.00		NIST
Inp	1857.00		NIST
Tboil	755.04	K	Joback Calculated Property
Tc	937.62	K	Joback Calculated Property
Tfus	437.12	K	Joback Calculated Property
Vc	1.016	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[749.57; 822.28]	J/mol×K	[755.04; 937.62]
Cp,gas	749.57	J/mol×K	755.04	Joback Calculated Property
Cp,gas	763.69	J/mol×K	785.47	Joback Calculated Property
Cp,gas	776.97	J/mol×K	815.90	Joback Calculated Property
Cp,gas	789.44	J/mol×K	846.33	Joback Calculated Property
Cp,gas	801.13	J/mol×K	876.76	Joback Calculated Property
Cp,gas	812.07	J/mol×K	907.19	Joback Calculated Property
Cp,gas	822.28	J/mol×K	937.62	Joback Calculated Property

Similar Compounds

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

Sources

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

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