Chemical Properties of Diethylmalonic acid, tridecyl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C26H39F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-32-24(30)26(5-2,6-3)25(31)33-21-18-17-20(27)22(28)23(21)29/h17-18H,4-16,19H2,1-3H3

InChI Key

OVTFTJLRWYIEHN-UHFFFAOYSA-N

Formula

C26H39F3O4

SMILES

CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(F)c(F)c1F

Molecular Weight¹

472.58

• 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°	-797.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-1464.53	kJ/mol	Joback Calculated Property
ΔfusH°	63.37	kJ/mol	Joback Calculated Property
ΔvapH°	92.30	kJ/mol	Joback Calculated Property
log10WS	-8.94		Crippen Calculated Property
logPoct/wat	7.670		Crippen Calculated Property
McVol	373.630	ml/mol	McGowan Calculated Property
Pc	839.19	kPa	Joback Calculated Property
Inp	[2702.00; 2702.00]
Inp	2702.00		NIST
Inp	2702.00		NIST
Tboil	983.06	K	Joback Calculated Property
Tc	1206.89	K	Joback Calculated Property
Tfus	595.27	K	Joback Calculated Property
Vc	1.474	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1262.80; 1344.31]	J/mol×K	[983.06; 1206.89]
Cp,gas	1262.80	J/mol×K	983.06	Joback Calculated Property
Cp,gas	1279.92	J/mol×K	1020.36	Joback Calculated Property
Cp,gas	1295.54	J/mol×K	1057.67	Joback Calculated Property
Cp,gas	1309.72	J/mol×K	1094.97	Joback Calculated Property
Cp,gas	1322.54	J/mol×K	1132.28	Joback Calculated Property
Cp,gas	1334.04	J/mol×K	1169.58	Joback Calculated Property
Cp,gas	1344.31	J/mol×K	1206.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, tridecyl 2,3,4-trifluorophenyl ester.

Sources

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

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