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

InChI

InChI=1S/C12H17F5O4/c1-4-5-6-20-8(18)10(2,3)9(19)21-7-11(13,14)12(15,16)17/h4-7H2,1-3H3

InChI Key

VSTSXMFADCPCLA-UHFFFAOYSA-N

Formula

C12H17F5O4

SMILES

CCCCOC(=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	0.6528		Relay (1.0) Calculated Property
ΔfG°	-1383.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1951.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.57	kJ/mol	Joback Calculated Property
ΔvapH°	61.14	kJ/mol	Relay (1.0) Calculated Property
IE	10.70	eV	Relay (1.0) Calculated Property
log10WS	-3.92		Relay (1.0) Calculated Property
logPoct/wat	3.097		Crippen Calculated Property
McVol	203.670	ml/mol	McGowan Calculated Property
Pc	1671.43	kPa	Joback Calculated Property
Inp	[1146.00; 1146.00]
Inp	1146.00		NIST
Inp	1146.00		NIST
Tboil	468.23	K	Relay (1.0) Calculated Property
Tc	611.19	K	Relay (1.0) Calculated Property
Tfus	239.61	K	Relay (1.0) Calculated Property
Vc	0.772	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[565.39; 634.77]	J/mol×K	[613.20; 781.52]
Cp,gas	565.39	J/mol×K	613.20	Joback Calculated Property
Cp,gas	578.77	J/mol×K	641.25	Joback Calculated Property
Cp,gas	591.39	J/mol×K	669.31	Joback Calculated Property
Cp,gas	603.26	J/mol×K	697.36	Joback Calculated Property
Cp,gas	614.43	J/mol×K	725.42	Joback Calculated Property
Cp,gas	624.92	J/mol×K	753.47	Joback Calculated Property
Cp,gas	634.77	J/mol×K	781.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, butyl 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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