Chemical Properties of Succinic acid, 3-methylbut-2-en-1-yl 2,2,3,4,4,4-hexafluorobutyl ester

InChI

InChI=1S/C13H16F6O4/c1-8(2)5-6-22-9(20)3-4-10(21)23-7-12(15,16)11(14)13(17,18)19/h5,11H,3-4,6-7H2,1-2H3

InChI Key

FDJSLBNCSKEXNM-UHFFFAOYSA-N

Formula

C13H16F6O4

SMILES

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

Molecular Weight¹

350.25

• 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°	-1503.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1893.26	kJ/mol	Joback Calculated Property
ΔfusH°	34.02	kJ/mol	Joback Calculated Property
ΔvapH°	55.00	kJ/mol	Joback Calculated Property
log10WS	-3.78		Crippen Calculated Property
logPoct/wat	3.355		Crippen Calculated Property
McVol	215.230	ml/mol	McGowan Calculated Property
Pc	1548.78	kPa	Joback Calculated Property
Inp	[1491.00; 1491.00]
Inp	1491.00		NIST
Inp	1491.00		NIST
Tboil	642.18	K	Joback Calculated Property
Tc	807.90	K	Joback Calculated Property
Tfus	354.93	K	Joback Calculated Property
Vc	0.873	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[600.97; 667.69]	J/mol×K	[642.18; 807.90]
Cp,gas	600.97	J/mol×K	642.18	Joback Calculated Property
Cp,gas	613.78	J/mol×K	669.80	Joback Calculated Property
Cp,gas	625.87	J/mol×K	697.42	Joback Calculated Property
Cp,gas	637.28	J/mol×K	725.04	Joback Calculated Property
Cp,gas	648.03	J/mol×K	752.66	Joback Calculated Property
Cp,gas	658.15	J/mol×K	780.28	Joback Calculated Property
Cp,gas	667.69	J/mol×K	807.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-en-1-yl 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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

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