Chemical Properties of Dimethylmalonic acid, isobutyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C12H17F5O4/c1-7(2)5-20-8(18)10(3,4)9(19)21-6-11(13,14)12(15,16)17/h7H,5-6H2,1-4H3

InChI Key

XESDDKQNVZVJBZ-UHFFFAOYSA-N

Formula

C12H17F5O4

SMILES

CC(C)COC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)(F)F

Molecular Weight¹

320.25

• 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	0.6307		Relay (1.0) Calculated Property
ΔfG°	-1385.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1966.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.04	kJ/mol	Joback Calculated Property
ΔvapH°	59.93	kJ/mol	Relay (1.0) Calculated Property
IE	10.69	eV	Relay (1.0) Calculated Property
log10WS	-3.93		Relay (1.0) Calculated Property
logPoct/wat	2.953		Crippen Calculated Property
McVol	203.670	ml/mol	McGowan Calculated Property
Pc	1682.41	kPa	Joback Calculated Property
Inp	[1107.00; 1107.00]
Inp	1107.00		NIST
Inp	1107.00		NIST
Tboil	466.94	K	Relay (1.0) Calculated Property
Tc	610.18	K	Relay (1.0) Calculated Property
Tfus	262.06	K	Relay (1.0) Calculated Property
Vc	0.771	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[565.80; 636.24]	J/mol×K	[612.76; 783.63]
Cp,gas	565.80	J/mol×K	612.76	Joback Calculated Property
Cp,gas	579.43	J/mol×K	641.24	Joback Calculated Property
Cp,gas	592.26	J/mol×K	669.72	Joback Calculated Property
Cp,gas	604.32	J/mol×K	698.20	Joback Calculated Property
Cp,gas	615.65	J/mol×K	726.67	Joback Calculated Property
Cp,gas	626.28	J/mol×K	755.15	Joback Calculated Property
Cp,gas	636.24	J/mol×K	783.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, isobutyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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