Chemical Properties of Diethylmalonic acid, nonyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C19H31F5O4/c1-4-7-8-9-10-11-12-13-27-15(25)17(5-2,6-3)16(26)28-14-18(20,21)19(22,23)24/h4-14H2,1-3H3

InChI Key

VGPGODMISANVFI-UHFFFAOYSA-N

Formula

C19H31F5O4

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)(F)F

Molecular Weight¹

418.44

• 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°	-1324.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-1931.89	kJ/mol	Joback Calculated Property
ΔfusH°	43.70	kJ/mol	Joback Calculated Property
ΔvapH°	68.23	kJ/mol	Joback Calculated Property
log10WS	-6.24		Crippen Calculated Property
logPoct/wat	5.827		Crippen Calculated Property
McVol	302.300	ml/mol	McGowan Calculated Property
Pc	1028.60	kPa	Joback Calculated Property
Inp	[1733.00; 1733.00]
Inp	1733.00		NIST
Inp	1733.00		NIST
Tboil	773.36	K	Joback Calculated Property
Tc	949.39	K	Joback Calculated Property
Tfus	458.42	K	Joback Calculated Property
Vc	1.204	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[950.67; 1035.18]	J/mol×K	[773.36; 949.39]
Cp,gas	950.67	J/mol×K	773.36	Joback Calculated Property
Cp,gas	966.96	J/mol×K	802.70	Joback Calculated Property
Cp,gas	982.30	J/mol×K	832.04	Joback Calculated Property
Cp,gas	996.74	J/mol×K	861.37	Joback Calculated Property
Cp,gas	1010.33	J/mol×K	890.71	Joback Calculated Property
Cp,gas	1023.13	J/mol×K	920.05	Joback Calculated Property
Cp,gas	1035.18	J/mol×K	949.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, nonyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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