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

InChI

InChI=1S/C31H49F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-37-29(35)31(5-2,6-3)30(36)38-26-23-22-25(32)27(33)28(26)34/h22-23H,4-21,24H2,1-3H3

InChI Key

ZPORQSXWRIFSIW-UHFFFAOYSA-N

Formula

C31H49F3O4

SMILES

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

Molecular Weight¹

542.71

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.3080		Relay (1.0) Calculated Property
ΔfG°	-755.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1533.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	76.32	kJ/mol	Joback Calculated Property
ΔvapH°	139.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.17	eV	Relay (1.0) Calculated Property
log10WS	-9.26		Relay (1.0) Calculated Property
logPoct/wat	9.620		Crippen Calculated Property
McVol	444.080	ml/mol	McGowan Calculated Property
Pc	646.80	kPa	Joback Calculated Property
Inp	[3219.00; 3219.00]
Inp	3219.00		NIST
Inp	3219.00		NIST
Tboil	686.66	K	Relay (1.0) Calculated Property
Tc	885.02	K	Relay (1.0) Calculated Property
Tfus	325.30	K	Relay (1.0) Calculated Property
Vc	1.646	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1578.41; 1666.50]	J/mol×K	[1097.46; 1377.66]
Cp,gas	1578.41	J/mol×K	1097.46	Joback Calculated Property
Cp,gas	1598.32	J/mol×K	1144.16	Joback Calculated Property
Cp,gas	1615.91	J/mol×K	1190.86	Joback Calculated Property
Cp,gas	1631.36	J/mol×K	1237.56	Joback Calculated Property
Cp,gas	1644.83	J/mol×K	1284.26	Joback Calculated Property
Cp,gas	1656.49	J/mol×K	1330.96	Joback Calculated Property
Cp,gas	1666.50	J/mol×K	1377.66	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.