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

InChI

InChI=1S/C16H26F4O4/c1-4-5-6-7-8-9-10-23-13(21)15(2,3)14(22)24-11-16(19,20)12(17)18/h12H,4-11H2,1-3H3

InChI Key

IQFKPWYFOJSDBT-UHFFFAOYSA-N

Formula

C16H26F4O4

SMILES

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

Molecular Weight¹

358.37

• 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	0.8199		Relay (1.0) Calculated Property
ΔfG°	-1160.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-1778.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.74	kJ/mol	Joback Calculated Property
ΔvapH°	78.11	kJ/mol	Relay (1.0) Calculated Property
IE	10.48	eV	Relay (1.0) Calculated Property
log10WS	-5.01		Relay (1.0) Calculated Property
logPoct/wat	4.360		Crippen Calculated Property
McVol	258.260	ml/mol	McGowan Calculated Property
Pc	1279.16	kPa	Joback Calculated Property
Inp	[1638.00; 1638.00]
Inp	1638.00		NIST
Inp	1638.00		NIST
Tboil	538.73	K	Relay (1.0) Calculated Property
Tc	712.88	K	Relay (1.0) Calculated Property
Tfus	283.82	K	Relay (1.0) Calculated Property
Vc	0.984	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.44; 849.96]	J/mol×K	[708.24; 878.99]
Cp,gas	769.44	J/mol×K	708.24	Joback Calculated Property
Cp,gas	784.86	J/mol×K	736.70	Joback Calculated Property
Cp,gas	799.45	J/mol×K	765.16	Joback Calculated Property
Cp,gas	813.22	J/mol×K	793.62	Joback Calculated Property
Cp,gas	826.21	J/mol×K	822.08	Joback Calculated Property
Cp,gas	838.45	J/mol×K	850.54	Joback Calculated Property
Cp,gas	849.96	J/mol×K	878.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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