Chemical Properties of Diethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester

InChI

InChI=1S/C26H40ClFO4/c1-4-7-8-9-10-11-12-13-14-15-16-20-31-24(29)26(5-2,6-3)25(30)32-23-21(27)18-17-19-22(23)28/h17-19H,4-16,20H2,1-3H3

InChI Key

IPYGVWMIDDGCML-UHFFFAOYSA-N

Formula

C26H40ClFO4

SMILES

CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

471.05

• 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°	-410.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1076.58	kJ/mol	Joback Calculated Property
ΔfusH°	61.80	kJ/mol	Joback Calculated Property
ΔvapH°	97.65	kJ/mol	Joback Calculated Property
log10WS	-8.96		Crippen Calculated Property
logPoct/wat	8.045		Crippen Calculated Property
McVol	382.330	ml/mol	McGowan Calculated Property
Pc	873.25	kPa	Joback Calculated Property
Inp	[2998.00; 2998.00]
Inp	2998.00		NIST
Inp	2998.00		NIST
Tboil	1016.97	K	Joback Calculated Property
Tc	1246.41	K	Joback Calculated Property
Tfus	611.49	K	Joback Calculated Property
Vc	1.488	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1275.62; 1352.61]	J/mol×K	[1016.97; 1246.41]
Cp,gas	1275.62	J/mol×K	1016.97	Joback Calculated Property
Cp,gas	1291.85	J/mol×K	1055.21	Joback Calculated Property
Cp,gas	1306.62	J/mol×K	1093.45	Joback Calculated Property
Cp,gas	1320.00	J/mol×K	1131.69	Joback Calculated Property
Cp,gas	1332.07	J/mol×K	1169.93	Joback Calculated Property
Cp,gas	1342.92	J/mol×K	1208.17	Joback Calculated Property
Cp,gas	1352.61	J/mol×K	1246.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester.

Sources

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

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