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

InChI

InChI=1S/C21H35F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-29-17(27)19(2,3)18(28)30-16-20(22,23)21(24,25)26/h4-16H2,1-3H3

InChI Key

CJGFSRPDNZCFTQ-UHFFFAOYSA-N

Formula

C21H35F5O4

SMILES

CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)(F)F

Molecular Weight¹

446.49

• 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°	-1307.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1973.17	kJ/mol	Joback Calculated Property
ΔfusH°	48.88	kJ/mol	Joback Calculated Property
ΔvapH°	72.68	kJ/mol	Joback Calculated Property
log10WS	-7.07		Crippen Calculated Property
logPoct/wat	6.608		Crippen Calculated Property
McVol	330.480	ml/mol	McGowan Calculated Property
Pc	912.73	kPa	Joback Calculated Property
Inp	[1984.00; 1984.00]
Inp	1984.00		NIST
Inp	1984.00		NIST
Tboil	819.12	K	Joback Calculated Property
Tc	1002.94	K	Joback Calculated Property
Tfus	480.96	K	Joback Calculated Property
Vc	1.317	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1069.55; 1158.72]	J/mol×K	[819.12; 1002.94]
Cp,gas	1069.55	J/mol×K	819.12	Joback Calculated Property
Cp,gas	1086.80	J/mol×K	849.76	Joback Calculated Property
Cp,gas	1103.01	J/mol×K	880.39	Joback Calculated Property
Cp,gas	1118.25	J/mol×K	911.03	Joback Calculated Property
Cp,gas	1132.57	J/mol×K	941.67	Joback Calculated Property
Cp,gas	1146.04	J/mol×K	972.30	Joback Calculated Property
Cp,gas	1158.72	J/mol×K	1002.94	Joback Calculated Property

Similar Compounds

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

Sources

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

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