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

InChI

InChI=1S/C13H18F6O4/c1-7(2)8(3)23-10(21)5-4-9(20)22-6-12(15,16)11(14)13(17,18)19/h7-8,11H,4-6H2,1-3H3

InChI Key

YGNMDEASYJKIKU-UHFFFAOYSA-N

Formula

C13H18F6O4

SMILES

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

Molecular Weight¹

352.27

• 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°	-1579.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-2011.25	kJ/mol	Joback Calculated Property
ΔfusH°	28.08	kJ/mol	Joback Calculated Property
ΔvapH°	54.19	kJ/mol	Joback Calculated Property
log10WS	-3.80		Crippen Calculated Property
logPoct/wat	3.433		Crippen Calculated Property
McVol	219.530	ml/mol	McGowan Calculated Property
Pc	1499.99	kPa	Joback Calculated Property
Inp	[1374.00; 1374.00]
Inp	1374.00		NIST
Inp	1374.00		NIST
Tboil	637.26	K	Joback Calculated Property
Tc	800.71	K	Joback Calculated Property
Tfus	343.97	K	Joback Calculated Property
Vc	0.879	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[623.35; 694.63]	J/mol×K	[637.26; 800.71]
Cp,gas	623.35	J/mol×K	637.26	Joback Calculated Property
Cp,gas	636.98	J/mol×K	664.50	Joback Calculated Property
Cp,gas	649.88	J/mol×K	691.74	Joback Calculated Property
Cp,gas	662.07	J/mol×K	718.99	Joback Calculated Property
Cp,gas	673.58	J/mol×K	746.23	Joback Calculated Property
Cp,gas	684.42	J/mol×K	773.47	Joback Calculated Property
Cp,gas	694.63	J/mol×K	800.71	Joback Calculated Property

Similar Compounds

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

Sources

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

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