Chemical Properties of Dimethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl octyl ester

InChI

InChI=1S/C17H26F6O4/c1-4-5-6-7-8-9-10-26-13(24)15(2,3)14(25)27-11-16(19,20)12(18)17(21,22)23/h12H,4-11H2,1-3H3

InChI Key

XEEOWRVTLYJPCL-UHFFFAOYSA-N

Formula

C17H26F6O4

SMILES

CCCCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)C(F)(F)F

Molecular Weight¹

408.38

• 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°	-1538.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-2092.00	kJ/mol	Joback Calculated Property
ΔfusH°	38.07	kJ/mol	Joback Calculated Property
ΔvapH°	62.57	kJ/mol	Joback Calculated Property
log10WS	-5.36		Crippen Calculated Property
logPoct/wat	4.995		Crippen Calculated Property
McVol	275.890	ml/mol	McGowan Calculated Property
Pc	1139.03	kPa	Joback Calculated Property
Inp	[1624.00; 1624.00]
Inp	1624.00		NIST
Inp	1624.00		NIST
Tboil	726.43	K	Joback Calculated Property
Tc	895.74	K	Joback Calculated Property
Tfus	421.47	K	Joback Calculated Property
Vc	1.105	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[843.48; 922.60]	J/mol×K	[726.43; 895.74]
Cp,gas	843.48	J/mol×K	726.43	Joback Calculated Property
Cp,gas	858.72	J/mol×K	754.65	Joback Calculated Property
Cp,gas	873.09	J/mol×K	782.87	Joback Calculated Property
Cp,gas	886.62	J/mol×K	811.08	Joback Calculated Property
Cp,gas	899.35	J/mol×K	839.30	Joback Calculated Property
Cp,gas	911.33	J/mol×K	867.52	Joback Calculated Property
Cp,gas	922.60	J/mol×K	895.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl octyl ester.

Sources

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

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