Chemical Properties of Succinic acid, dec-2-yl pentafluorobenzyl ester

InChI

InChI=1S/C21H27F5O4/c1-3-4-5-6-7-8-9-13(2)30-16(28)11-10-15(27)29-12-14-17(22)19(24)21(26)20(25)18(14)23/h13H,3-12H2,1-2H3

InChI Key

WKLODDWSZMCTOK-UHFFFAOYSA-N

Formula

C21H27F5O4

SMILES

CCCCCCCCC(C)OC(=O)CCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

438.43

• 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	1.0256		Relay (1.0) Calculated Property
ΔfG°	-1254.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1659.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.69	kJ/mol	Joback Calculated Property
ΔvapH°	102.53	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-7.46		Relay (1.0) Calculated Property
logPoct/wat	5.888		Crippen Calculated Property
McVol	306.720	ml/mol	McGowan Calculated Property
Pc	1038.57	kPa	Joback Calculated Property
Inp	[2322.00; 2322.00]
Inp	2322.00		NIST
Inp	2322.00		NIST
Tboil	617.61	K	Relay (1.0) Calculated Property
Tc	791.84	K	Relay (1.0) Calculated Property
Tfus	310.81	K	Relay (1.0) Calculated Property
Vc	1.154	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[971.21; 1043.33]	J/mol×K	[879.95; 1077.31]
Cp,gas	971.21	J/mol×K	879.95	Joback Calculated Property
Cp,gas	986.08	J/mol×K	912.84	Joback Calculated Property
Cp,gas	999.80	J/mol×K	945.74	Joback Calculated Property
Cp,gas	1012.38	J/mol×K	978.63	Joback Calculated Property
Cp,gas	1023.82	J/mol×K	1011.52	Joback Calculated Property
Cp,gas	1034.14	J/mol×K	1044.42	Joback Calculated Property
Cp,gas	1043.33	J/mol×K	1077.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dec-2-yl pentafluorobenzyl ester.

Sources

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

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