Chemical Properties of Glutaric acid, isobutyl 2-nitro-3-chlorobenzyl ester

InChI

InChI=1S/C16H20ClNO6/c1-11(2)9-23-14(19)7-4-8-15(20)24-10-12-5-3-6-13(17)16(12)18(21)22/h3,5-6,11H,4,7-10H2,1-2H3

InChI Key

OUYGRUSVHXNHNT-UHFFFAOYSA-N

Formula

C16H20ClNO6

SMILES

CC(C)COC(=O)CCCC(=O)OCc1cccc(Cl)c1[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°	-269.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-681.36	kJ/mol	Joback Calculated Property
ΔfusH°	48.07	kJ/mol	Joback Calculated Property
ΔvapH°	93.71	kJ/mol	Joback Calculated Property
log10WS	-4.94		Crippen Calculated Property
logPoct/wat	3.661		Crippen Calculated Property
McVol	257.080	ml/mol	McGowan Calculated Property
Pc	1768.38	kPa	Joback Calculated Property
Inp	[2558.00; 2558.00]
Inp	2558.00		NIST
Inp	2558.00		NIST
Tboil	943.53	K	Joback Calculated Property
Tc	1173.19	K	Joback Calculated Property
Tfus	624.39	K	Joback Calculated Property
Vc	0.997	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[774.82; 821.17]	J/mol×K	[943.53; 1173.19]
Cp,gas	774.82	J/mol×K	943.53	Joback Calculated Property
Cp,gas	785.58	J/mol×K	981.81	Joback Calculated Property
Cp,gas	795.10	J/mol×K	1020.08	Joback Calculated Property
Cp,gas	803.40	J/mol×K	1058.36	Joback Calculated Property
Cp,gas	810.50	J/mol×K	1096.64	Joback Calculated Property
Cp,gas	816.42	J/mol×K	1134.92	Joback Calculated Property
Cp,gas	821.17	J/mol×K	1173.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isobutyl 2-nitro-3-chlorobenzyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.