Chemical Properties of Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl tridecyl ester

InChI

InChI=1S/C27H40F4O4/c1-4-7-8-9-10-11-12-13-14-15-16-20-34-24(32)26(5-2,6-3)25(33)35-22-19-17-18-21(23(22)28)27(29,30)31/h17-19H,4-16,20H2,1-3H3

InChI Key

WAKCJPXSRIWIFU-UHFFFAOYSA-N

Formula

C27H40F4O4

SMILES

CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

504.60

• 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°	-971.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-1678.56	kJ/mol	Joback Calculated Property
ΔfusH°	62.01	kJ/mol	Joback Calculated Property
ΔvapH°	91.75	kJ/mol	Joback Calculated Property
log10WS	-9.38		Crippen Calculated Property
logPoct/wat	8.411		Crippen Calculated Property
McVol	389.490	ml/mol	McGowan Calculated Property
Pc	789.49	kPa	Joback Calculated Property
Inp	[2685.00; 2685.00]
Inp	2685.00		NIST
Inp	2685.00		NIST
Tboil	997.00	K	Joback Calculated Property
Tc	1225.89	K	Joback Calculated Property
Tfus	597.03	K	Joback Calculated Property
Vc	1.538	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1332.50; 1418.82]	J/mol×K	[997.00; 1225.89]
Cp,gas	1332.50	J/mol×K	997.00	Joback Calculated Property
Cp,gas	1350.05	J/mol×K	1035.15	Joback Calculated Property
Cp,gas	1366.20	J/mol×K	1073.30	Joback Calculated Property
Cp,gas	1381.04	J/mol×K	1111.44	Joback Calculated Property
Cp,gas	1394.68	J/mol×K	1149.59	Joback Calculated Property
Cp,gas	1407.24	J/mol×K	1187.74	Joback Calculated Property
Cp,gas	1418.82	J/mol×K	1225.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl tridecyl ester.

Sources

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

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