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

• 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°	-1315.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1952.53	kJ/mol	Joback Calculated Property
ΔfusH°	46.29	kJ/mol	Joback Calculated Property
ΔvapH°	70.45	kJ/mol	Joback Calculated Property
log10WS	-6.65		Crippen 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	796.24	K	Joback Calculated Property
Tc	975.77	K	Joback Calculated Property
Tfus	469.69	K	Joback Calculated Property
Vc	1.260	m3/kmol	Joback 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

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

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