Chemical Properties of Diethylmalonic acid, pentadecyl pentafluorophenyl ester

InChI

InChI=1S/C28H41F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-36-26(34)28(5-2,6-3)27(35)37-25-23(32)21(30)20(29)22(31)24(25)33/h4-19H2,1-3H3

InChI Key

FZYRIWICTLRZLS-UHFFFAOYSA-N

Formula

C28H41F5O4

SMILES

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

Molecular Weight¹

536.61

• 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	1.2297		Relay (1.0) Calculated Property
ΔfG°	-1189.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-1740.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.93	kJ/mol	Joback Calculated Property
ΔvapH°	126.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-9.43		Relay (1.0) Calculated Property
logPoct/wat	8.728		Crippen Calculated Property
McVol	405.350	ml/mol	McGowan Calculated Property
Pc	705.83	kPa	Joback Calculated Property
Inp	[2776.00; 2776.00]
Inp	2776.00		NIST
Inp	2776.00		NIST
Tboil	654.27	K	Relay (1.0) Calculated Property
Tc	851.93	K	Relay (1.0) Calculated Property
Tfus	325.92	K	Relay (1.0) Calculated Property
Vc	1.506	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1399.68; 1480.30]	J/mol×K	[1037.32; 1292.68]
Cp,gas	1399.68	J/mol×K	1037.32	Joback Calculated Property
Cp,gas	1417.86	J/mol×K	1079.88	Joback Calculated Property
Cp,gas	1434.03	J/mol×K	1122.44	Joback Calculated Property
Cp,gas	1448.26	J/mol×K	1165.00	Joback Calculated Property
Cp,gas	1460.66	J/mol×K	1207.56	Joback Calculated Property
Cp,gas	1471.31	J/mol×K	1250.12	Joback Calculated Property
Cp,gas	1480.30	J/mol×K	1292.68	Joback Calculated Property

Similar Compounds

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

Sources

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

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