Chemical Properties of Diethylmalonic acid, pentadecyl pentafluorobenzyl ester

InChI

InChI=1S/C29H43F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-37-27(35)29(5-2,6-3)28(36)38-20-21-22(30)24(32)26(34)25(33)23(21)31/h4-20H2,1-3H3

InChI Key

KBNMCRTXSZFBNJ-UHFFFAOYSA-N

Formula

C29H43F5O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

550.64

• 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	1.2548		Relay (... Calculated Property
ΔfG°	-1181.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1777.51	kJ/mol	Relay (... Calculated Property
ΔfusH°	76.52	kJ/mol	Joback Calculated Property
ΔvapH°	129.13	kJ/mol	Relay (... Calculated Property
IE	9.30	eV	Relay (... Calculated Property
log10WS	-9.52		Relay (... Calculated Property
logPoct/wat	8.866		Crippen Calculated Property
McVol	419.440	ml/mol	McGowan Calculated Property
Pc	671.16	kPa	Joback Calculated Property
Inp	[2838.00; 2838.00]
Inp	2838.00		NIST
Inp	2838.00		NIST
Tboil	677.16	K	Relay (... Calculated Property
Tc	861.63	K	Relay (... Calculated Property
Tfus	332.09	K	Relay (... Calculated Property
Vc	1.555	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1462.56; 1543.97]	J/mol×K	[1060.20; 1329.29]
Cp,gas	1462.56	J/mol×K	1060.20	Joback Calculated Property
Cp,gas	1481.36	J/mol×K	1105.05	Joback Calculated Property
Cp,gas	1497.92	J/mol×K	1149.90	Joback Calculated Property
Cp,gas	1512.35	J/mol×K	1194.75	Joback Calculated Property
Cp,gas	1524.76	J/mol×K	1239.59	Joback Calculated Property
Cp,gas	1535.26	J/mol×K	1284.44	Joback Calculated Property
Cp,gas	1543.97	J/mol×K	1329.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, pentadecyl pentafluorobenzyl ester.

Sources

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

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