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

InChI

InChI=1S/C12H19F3O4/c1-7(2)8(3)18-10(16)5-6-11(17)19-9(4)12(13,14)15/h7-9H,5-6H2,1-4H3

InChI Key

HGCNFDUVWFSBAI-UHFFFAOYSA-N

Formula

C12H19F3O4

SMILES

CC(C)C(C)OC(=O)CCC(=O)OC(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°	-1006.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1393.53	kJ/mol	Joback Calculated Property
ΔfusH°	23.67	kJ/mol	Joback Calculated Property
ΔvapH°	55.71	kJ/mol	Joback Calculated Property
log10WS	-3.22		Crippen Calculated Property
logPoct/wat	2.848		Crippen Calculated Property
McVol	200.130	ml/mol	McGowan Calculated Property
Pc	1780.34	kPa	Joback Calculated Property
Inp	[1296.00; 1296.00]
Inp	1296.00		NIST
Inp	1296.00		NIST
Tboil	619.80	K	Joback Calculated Property
Tc	793.70	K	Joback Calculated Property
Tfus	328.51	K	Joback Calculated Property
Vc	0.780	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.39; 619.03]	J/mol×K	[619.80; 793.70]
Cp,gas	544.39	J/mol×K	619.80	Joback Calculated Property
Cp,gas	558.56	J/mol×K	648.78	Joback Calculated Property
Cp,gas	572.02	J/mol×K	677.77	Joback Calculated Property
Cp,gas	584.79	J/mol×K	706.75	Joback Calculated Property
Cp,gas	596.87	J/mol×K	735.74	Joback Calculated Property
Cp,gas	608.28	J/mol×K	764.72	Joback Calculated Property
Cp,gas	619.03	J/mol×K	793.70	Joback Calculated Property

Similar Compounds

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

Sources

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

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