Chemical Properties of Diethylmalonic acid, pentafluorophenyl tridecyl ester

InChI

InChI=1S/C26H37F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-34-24(32)26(5-2,6-3)25(33)35-23-21(30)19(28)18(27)20(29)22(23)31/h4-17H2,1-3H3

InChI Key

MCEXMVUVRRTTLF-UHFFFAOYSA-N

Formula

C26H37F5O4

SMILES

CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

508.56

• 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	1.1571		Relay (1.0) Calculated Property
ΔfG°	-1206.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1702.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.75	kJ/mol	Joback Calculated Property
ΔvapH°	118.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
log10WS	-8.88		Relay (1.0) Calculated Property
logPoct/wat	7.948		Crippen Calculated Property
McVol	377.170	ml/mol	McGowan Calculated Property
Pc	783.75	kPa	Joback Calculated Property
Inp	[2586.00; 2586.00]
Inp	2586.00		NIST
Inp	2586.00		NIST
Tboil	638.62	K	Relay (1.0) Calculated Property
Tc	837.21	K	Relay (1.0) Calculated Property
Tfus	320.61	K	Relay (1.0) Calculated Property
Vc	1.398	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1274.97; 1353.59]	J/mol×K	[991.56; 1224.02]
Cp,gas	1274.97	J/mol×K	991.56	Joback Calculated Property
Cp,gas	1292.01	J/mol×K	1030.30	Joback Calculated Property
Cp,gas	1307.40	J/mol×K	1069.05	Joback Calculated Property
Cp,gas	1321.19	J/mol×K	1107.79	Joback Calculated Property
Cp,gas	1333.45	J/mol×K	1146.54	Joback Calculated Property
Cp,gas	1344.23	J/mol×K	1185.28	Joback Calculated Property
Cp,gas	1353.59	J/mol×K	1224.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, pentafluorophenyl tridecyl ester.

Sources

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

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