Chemical Properties of Diethylmalonic acid, eicosyl pentafluorophenyl ester

InChI

InChI=1S/C33H51F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-41-31(39)33(5-2,6-3)32(40)42-30-28(37)26(35)25(34)27(36)29(30)38/h4-24H2,1-3H3

InChI Key

XXJWKBXWRZDMKE-UHFFFAOYSA-N

Formula

C33H51F5O4

SMILES

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

Molecular Weight¹

606.75

• 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	1.4091		Relay (1.0) Calculated Property
ΔfG°	-1147.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1833.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	86.88	kJ/mol	Joback Calculated Property
ΔvapH°	146.16	kJ/mol	Relay (1.0) Calculated Property
IE	9.47	eV	Relay (1.0) Calculated Property
log10WS	-10.75		Relay (1.0) Calculated Property
logPoct/wat	10.679		Crippen Calculated Property
McVol	475.800	ml/mol	McGowan Calculated Property
Pc	555.20	kPa	Joback Calculated Property
Inp	[3292.00; 3292.00]
Inp	3292.00		NIST
Inp	3292.00		NIST
Tboil	692.33	K	Relay (1.0) Calculated Property
Tc	886.19	K	Relay (1.0) Calculated Property
Tfus	335.76	K	Relay (1.0) Calculated Property
Vc	1.775	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1716.65; 1799.50]	J/mol×K	[1151.72; 1494.03]
Cp,gas	1716.65	J/mol×K	1151.72	Joback Calculated Property
Cp,gas	1738.27	J/mol×K	1208.77	Joback Calculated Property
Cp,gas	1756.38	J/mol×K	1265.82	Joback Calculated Property
Cp,gas	1771.28	J/mol×K	1322.87	Joback Calculated Property
Cp,gas	1783.24	J/mol×K	1379.93	Joback Calculated Property
Cp,gas	1792.56	J/mol×K	1436.98	Joback Calculated Property
Cp,gas	1799.50	J/mol×K	1494.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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