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

InChI

InChI=1S/C27H41F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-33-25(31)27(5-2,6-3)26(32)34-22-19-18-21(28)23(29)24(22)30/h18-19H,4-17,20H2,1-3H3

InChI Key

ZZBWJACHPJFFGM-UHFFFAOYSA-N

Formula

C27H41F3O4

SMILES

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

Molecular Weight¹

486.61

• 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°	-789.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-1485.17	kJ/mol	Joback Calculated Property
ΔfusH°	65.96	kJ/mol	Joback Calculated Property
ΔvapH°	94.52	kJ/mol	Joback Calculated Property
log10WS	-9.35		Crippen Calculated Property
logPoct/wat	8.060		Crippen Calculated Property
McVol	387.720	ml/mol	McGowan Calculated Property
Pc	794.39	kPa	Joback Calculated Property
Inp	[2794.00; 2794.00]
Inp	2794.00		NIST
Inp	2794.00		NIST
Tboil	1005.94	K	Joback Calculated Property
Tc	1238.26	K	Joback Calculated Property
Tfus	606.54	K	Joback Calculated Property
Vc	1.530	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1325.20; 1407.94]	J/mol×K	[1005.94; 1238.26]
Cp,gas	1325.20	J/mol×K	1005.94	Joback Calculated Property
Cp,gas	1342.79	J/mol×K	1044.66	Joback Calculated Property
Cp,gas	1358.76	J/mol×K	1083.38	Joback Calculated Property
Cp,gas	1373.18	J/mol×K	1122.10	Joback Calculated Property
Cp,gas	1386.13	J/mol×K	1160.82	Joback Calculated Property
Cp,gas	1397.70	J/mol×K	1199.54	Joback Calculated Property
Cp,gas	1407.94	J/mol×K	1238.26	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.