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

InChI

InChI=1S/C12H17F3O4/c1-8(2)6-7-18-10(16)4-5-11(17)19-9(3)12(13,14)15/h6,9H,4-5,7H2,1-3H3

InChI Key

PZVQCFMVKBPXAS-UHFFFAOYSA-N

Formula

C12H17F3O4

SMILES

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

Molecular Weight¹

282.26

• 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	0.6219		Relay (... Calculated Property
ΔfG°	-930.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1470.85	kJ/mol	Relay (... Calculated Property
ΔfusH°	29.61	kJ/mol	Joback Calculated Property
ΔvapH°	68.93	kJ/mol	Relay (... Calculated Property
IE	9.33	eV	Relay (... Calculated Property
log10WS	-2.94		Relay (... Calculated Property
logPoct/wat	2.770		Crippen Calculated Property
McVol	195.830	ml/mol	McGowan Calculated Property
Pc	1843.58	kPa	Joback Calculated Property
Inp	[1390.00; 1390.00]
Inp	1390.00		NIST
Inp	1390.00		NIST
Tboil	500.62	K	Relay (... Calculated Property
Tc	651.28	K	Relay (... Calculated Property
Tfus	277.28	K	Relay (... Calculated Property
Vc	0.706	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[522.52; 592.37]	J/mol×K	[624.72; 801.34]
Cp,gas	522.52	J/mol×K	624.72	Joback Calculated Property
Cp,gas	535.83	J/mol×K	654.16	Joback Calculated Property
Cp,gas	548.45	J/mol×K	683.59	Joback Calculated Property
Cp,gas	560.39	J/mol×K	713.03	Joback Calculated Property
Cp,gas	571.68	J/mol×K	742.47	Joback Calculated Property
Cp,gas	582.33	J/mol×K	771.90	Joback Calculated Property
Cp,gas	592.37	J/mol×K	801.34	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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