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

InChI

InChI=1S/C24H42F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-21(29)23(2,3)22(30)32-19-24(27,28)20(25)26/h20H,4-19H2,1-3H3

InChI Key

ZBQYVJXYLLYKHC-UHFFFAOYSA-N

Formula

C24H42F4O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)F

Molecular Weight¹

470.58

• 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	1.1107		Relay (1.0) Calculated Property
ΔfG°	-1092.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1935.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.46	kJ/mol	Joback Calculated Property
ΔvapH°	110.29	kJ/mol	Relay (1.0) Calculated Property
IE	10.52	eV	Relay (1.0) Calculated Property
log10WS	-7.43		Relay (1.0) Calculated Property
logPoct/wat	7.481		Crippen Calculated Property
McVol	370.980	ml/mol	McGowan Calculated Property
Pc	787.27	kPa	Joback Calculated Property
Inp	[2403.00; 2403.00]
Inp	2403.00		NIST
Inp	2403.00		NIST
Tboil	613.67	K	Relay (1.0) Calculated Property
Tc	787.36	K	Relay (1.0) Calculated Property
Tfus	317.14	K	Relay (1.0) Calculated Property
Vc	1.418	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1246.51; 1344.71]	J/mol×K	[891.28; 1094.01]
Cp,gas	1246.51	J/mol×K	891.28	Joback Calculated Property
Cp,gas	1265.88	J/mol×K	925.07	Joback Calculated Property
Cp,gas	1283.95	J/mol×K	958.86	Joback Calculated Property
Cp,gas	1300.79	J/mol×K	992.65	Joback Calculated Property
Cp,gas	1316.49	J/mol×K	1026.43	Joback Calculated Property
Cp,gas	1331.10	J/mol×K	1060.22	Joback Calculated Property
Cp,gas	1344.71	J/mol×K	1094.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, hexadecyl 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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