Chemical Properties of Pimelic acid, 4-methyl-2-pentyl pentafluorobenzyl ester

InChI

InChI=1S/C20H25F5O4/c1-11(2)9-12(3)29-15(27)8-6-4-5-7-14(26)28-10-13-16(21)18(23)20(25)19(24)17(13)22/h11-12H,4-10H2,1-3H3

InChI Key

UMJHPPZMABXYRR-UHFFFAOYSA-N

Formula

C20H25F5O4

SMILES

CC(C)CC(C)OC(=O)CCCCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

424.40

• 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).
• 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
ΔfG°	-1264.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1757.66	kJ/mol	Joback Calculated Property
ΔfusH°	53.58	kJ/mol	Joback Calculated Property
ΔvapH°	79.15	kJ/mol	Joback Calculated Property
log10WS	-7.05		Crippen Calculated Property
logPoct/wat	5.354		Crippen Calculated Property
McVol	292.630	ml/mol	McGowan Calculated Property
Pc	1111.85	kPa	Joback Calculated Property
Inp	[2208.00; 2208.00]
Inp	2208.00		NIST
Inp	2208.00		NIST
Tboil	856.63	K	Joback Calculated Property
Tc	1049.51	K	Joback Calculated Property
Tfus	521.45	K	Joback Calculated Property
Vc	1.173	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[912.66; 983.43]	J/mol×K	[856.63; 1049.51]
Cp,gas	912.66	J/mol×K	856.63	Joback Calculated Property
Cp,gas	927.11	J/mol×K	888.78	Joback Calculated Property
Cp,gas	940.49	J/mol×K	920.92	Joback Calculated Property
Cp,gas	952.80	J/mol×K	953.07	Joback Calculated Property
Cp,gas	964.06	J/mol×K	985.22	Joback Calculated Property
Cp,gas	974.27	J/mol×K	1017.36	Joback Calculated Property
Cp,gas	983.43	J/mol×K	1049.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, 4-methyl-2-pentyl pentafluorobenzyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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