Chemical Properties of Diethylmalonic acid, 2-fluorophenyl hexadecyl ester

InChI

InChI=1S/C29H47FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-27(31)29(5-2,6-3)28(32)34-26-23-20-19-22-25(26)30/h19-20,22-23H,4-18,21,24H2,1-3H3

InChI Key

MFWJPWLMTCLSKL-UHFFFAOYSA-N

Formula

C29H47FO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1F

Molecular Weight¹

478.68

• 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	1.1976		Relay (1.0) Calculated Property
ΔfG°	-363.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-1187.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.76	kJ/mol	Joback Calculated Property
ΔvapH°	133.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-7.88		Relay (1.0) Calculated Property
logPoct/wat	8.562		Crippen Calculated Property
McVol	412.360	ml/mol	McGowan Calculated Property
Pc	763.10	kPa	Joback Calculated Property
Inp	[3113.00; 3113.00]
Inp	3113.00		NIST
Inp	3113.00		NIST
Tboil	670.66	K	Relay (1.0) Calculated Property
Tc	889.41	K	Relay (1.0) Calculated Property
Tfus	324.71	K	Relay (1.0) Calculated Property
Vc	1.521	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1439.51; 1528.29]	J/mol×K	[1043.20; 1284.86]
Cp,gas	1439.51	J/mol×K	1043.20	Joback Calculated Property
Cp,gas	1458.17	J/mol×K	1083.48	Joback Calculated Property
Cp,gas	1475.14	J/mol×K	1123.75	Joback Calculated Property
Cp,gas	1490.53	J/mol×K	1164.03	Joback Calculated Property
Cp,gas	1504.44	J/mol×K	1204.30	Joback Calculated Property
Cp,gas	1516.99	J/mol×K	1244.58	Joback Calculated Property
Cp,gas	1528.29	J/mol×K	1284.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-fluorophenyl hexadecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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