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

InChI

InChI=1S/C20H33F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-28-16(26)18(2,3)17(27)29-15-19(21,22)20(23,24)25/h4-15H2,1-3H3

InChI Key

ZPHDXQYRMXXVLC-UHFFFAOYSA-N

Formula

C20H33F5O4

SMILES

CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)(F)F

Molecular Weight¹

432.47

• 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	0.9571		Relay (1.0) Calculated Property
ΔfG°	-1315.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-2102.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.29	kJ/mol	Joback Calculated Property
ΔvapH°	91.40	kJ/mol	Relay (1.0) Calculated Property
IE	10.44	eV	Relay (1.0) Calculated Property
log10WS	-6.69		Relay (1.0) Calculated Property
logPoct/wat	6.218		Crippen Calculated Property
McVol	316.390	ml/mol	McGowan Calculated Property
Pc	968.07	kPa	Joback Calculated Property
Inp	[1890.00; 1890.00]
Inp	1890.00		NIST
Inp	1890.00		NIST
Tboil	565.97	K	Relay (1.0) Calculated Property
Tc	704.69	K	Relay (1.0) Calculated Property
Tfus	278.69	K	Relay (1.0) Calculated Property
Vc	1.206	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1009.70; 1096.46]	J/mol×K	[796.24; 975.77]
Cp,gas	1009.70	J/mol×K	796.24	Joback Calculated Property
Cp,gas	1026.45	J/mol×K	826.16	Joback Calculated Property
Cp,gas	1042.21	J/mol×K	856.08	Joback Calculated Property
Cp,gas	1057.04	J/mol×K	886.01	Joback Calculated Property
Cp,gas	1070.99	J/mol×K	915.93	Joback Calculated Property
Cp,gas	1084.11	J/mol×K	945.85	Joback Calculated Property
Cp,gas	1096.46	J/mol×K	975.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, dodecyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.