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

InChI

InChI=1S/C12H19F3O4/c1-8(12(13,14)15)19-10(17)6-5-9(16)18-7-11(2,3)4/h8H,5-7H2,1-4H3

InChI Key

SBEHBMOURMEUHM-UHFFFAOYSA-N

Formula

C12H19F3O4

SMILES

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

Molecular Weight¹

284.27

• 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°	-998.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-1391.72	kJ/mol	Joback Calculated Property
ΔfusH°	23.30	kJ/mol	Joback Calculated Property
ΔvapH°	55.19	kJ/mol	Joback Calculated Property
log10WS	-3.10		Crippen Calculated Property
logPoct/wat	2.850		Crippen Calculated Property
McVol	200.130	ml/mol	McGowan Calculated Property
Pc	1784.86	kPa	Joback Calculated Property
Inp	[1272.00; 1272.00]
Inp	1272.00		NIST
Inp	1272.00		NIST
Tboil	617.45	K	Joback Calculated Property
Tc	793.52	K	Joback Calculated Property
Tfus	360.93	K	Joback Calculated Property
Vc	0.781	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[546.59; 620.59]	J/mol×K	[617.45; 793.52]
Cp,gas	546.59	J/mol×K	617.45	Joback Calculated Property
Cp,gas	560.77	J/mol×K	646.79	Joback Calculated Property
Cp,gas	574.17	J/mol×K	676.14	Joback Calculated Property
Cp,gas	586.83	J/mol×K	705.48	Joback Calculated Property
Cp,gas	598.78	J/mol×K	734.83	Joback Calculated Property
Cp,gas	610.02	J/mol×K	764.17	Joback Calculated Property
Cp,gas	620.59	J/mol×K	793.52	Joback Calculated Property

Similar Compounds

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

Sources

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

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