Chemical Properties of Pimelic acid, 5-chloro-2-nitrobenzyl ethyl ester

InChI

InChI=1S/C16H20ClNO6/c1-2-23-15(19)6-4-3-5-7-16(20)24-11-12-10-13(17)8-9-14(12)18(21)22/h8-10H,2-7,11H2,1H3

InChI Key

NVQQMSDALOVDEQ-UHFFFAOYSA-N

Formula

C16H20ClNO6

SMILES

CCOC(=O)CCCCCC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-]

Molecular Weight¹

357.79

• 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°	-267.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-676.08	kJ/mol	Joback Calculated Property
ΔfusH°	51.59	kJ/mol	Joback Calculated Property
ΔvapH°	94.10	kJ/mol	Joback Calculated Property
log10WS	-5.18		Crippen Calculated Property
logPoct/wat	3.805		Crippen Calculated Property
McVol	257.080	ml/mol	McGowan Calculated Property
Pc	1756.54	kPa	Joback Calculated Property
Inp	[2579.00; 2579.00]
Inp	2579.00		NIST
Inp	2579.00		NIST
Tboil	943.97	K	Joback Calculated Property
Tc	1171.44	K	Joback Calculated Property
Tfus	639.39	K	Joback Calculated Property
Vc	1.002	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[774.31; 820.92]	J/mol×K	[943.97; 1171.44]
Cp,gas	774.31	J/mol×K	943.97	Joback Calculated Property
Cp,gas	785.02	J/mol×K	981.88	Joback Calculated Property
Cp,gas	794.53	J/mol×K	1019.79	Joback Calculated Property
Cp,gas	802.86	J/mol×K	1057.70	Joback Calculated Property
Cp,gas	810.02	J/mol×K	1095.61	Joback Calculated Property
Cp,gas	816.03	J/mol×K	1133.52	Joback Calculated Property
Cp,gas	820.92	J/mol×K	1171.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, 5-chloro-2-nitrobenzyl ethyl ester.

Sources

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

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