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

InChI

InChI=1S/C12H18F4O4/c1-4-5-6-19-9(17)11(2,3)10(18)20-7-12(15,16)8(13)14/h8H,4-7H2,1-3H3

InChI Key

NVWREJVDWIJTFZ-UHFFFAOYSA-N

Formula

C12H18F4O4

SMILES

CCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)F

Molecular Weight¹

302.26

• 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°	-1193.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-1587.83	kJ/mol	Joback Calculated Property
ΔfusH°	26.38	kJ/mol	Joback Calculated Property
ΔvapH°	54.37	kJ/mol	Joback Calculated Property
log10WS	-2.96		Crippen Calculated Property
logPoct/wat	2.799		Crippen Calculated Property
McVol	201.900	ml/mol	McGowan Calculated Property
Pc	1718.88	kPa	Joback Calculated Property
Inp	[1270.00; 1270.00]
Inp	1270.00		NIST
Inp	1270.00		NIST
Tboil	616.72	K	Joback Calculated Property
Tc	786.51	K	Joback Calculated Property
Tfus	361.52	K	Joback Calculated Property
Vc	0.799	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[554.66; 626.07]	J/mol×K	[616.72; 786.51]
Cp,gas	554.66	J/mol×K	616.72	Joback Calculated Property
Cp,gas	568.30	J/mol×K	645.02	Joback Calculated Property
Cp,gas	581.21	J/mol×K	673.32	Joback Calculated Property
Cp,gas	593.42	J/mol×K	701.62	Joback Calculated Property
Cp,gas	604.96	J/mol×K	729.92	Joback Calculated Property
Cp,gas	615.83	J/mol×K	758.22	Joback Calculated Property
Cp,gas	626.07	J/mol×K	786.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, butyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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