Chemical Properties of Pimelic acid, 4-methyl-2-pentyl 3-nitrophenyl ester

InChI

InChI=1S/C19H27NO6/c1-14(2)12-15(3)25-18(21)10-5-4-6-11-19(22)26-17-9-7-8-16(13-17)20(23)24/h7-9,13-15H,4-6,10-12H2,1-3H3

InChI Key

FBJAVPKJLAJDDZ-UHFFFAOYSA-N

Formula

C19H27NO6

SMILES

CC(C)CC(C)OC(=O)CCCCCC(=O)Oc1cccc([N+](=O)[O-])c1

Molecular Weight¹

365.42

• 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°	-225.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-721.35	kJ/mol	Joback Calculated Property
ΔfusH°	48.51	kJ/mol	Joback Calculated Property
ΔvapH°	94.95	kJ/mol	Joback Calculated Property
log10WS	-5.77		Crippen Calculated Property
logPoct/wat	4.428		Crippen Calculated Property
McVol	287.110	ml/mol	McGowan Calculated Property
Pc	1472.49	kPa	Joback Calculated Property
Inp	[2677.00; 2677.00]
Inp	2677.00		NIST
Inp	2677.00		NIST
Tboil	969.32	K	Joback Calculated Property
Tc	1195.93	K	Joback Calculated Property
Tfus	600.76	K	Joback Calculated Property
Vc	1.109	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[930.05; 985.50]	J/mol×K	[969.32; 1195.93]
Cp,gas	930.05	J/mol×K	969.32	Joback Calculated Property
Cp,gas	942.58	J/mol×K	1007.09	Joback Calculated Property
Cp,gas	953.75	J/mol×K	1044.86	Joback Calculated Property
Cp,gas	963.59	J/mol×K	1082.62	Joback Calculated Property
Cp,gas	972.14	J/mol×K	1120.39	Joback Calculated Property
Cp,gas	979.43	J/mol×K	1158.16	Joback Calculated Property
Cp,gas	985.50	J/mol×K	1195.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, 4-methyl-2-pentyl 3-nitrophenyl ester.

Sources

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

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