Chemical Properties of 4-Methylpentan-2-yl 3,5-dinitrobenzoate

InChI

InChI=1S/C13H16N2O6/c1-8(2)4-9(3)21-13(16)10-5-11(14(17)18)7-12(6-10)15(19)20/h5-9H,4H2,1-3H3

InChI Key

FVIPWDDUSKMZEQ-UHFFFAOYSA-N

Formula

C13H16N2O6

SMILES

CC(C)CC(C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

Molecular Weight¹

296.28

• 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°	-15.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-374.94	kJ/mol	Joback Calculated Property
ΔfusH°	41.15	kJ/mol	Joback Calculated Property
ΔvapH°	89.69	kJ/mol	Joback Calculated Property
log10WS	-4.98		Crippen Calculated Property
logPoct/wat	3.094		Crippen Calculated Property
McVol	212.550	ml/mol	McGowan Calculated Property
Pc	2313.61	kPa	Joback Calculated Property
Inp	[2091.00; 2091.00]
Inp	2091.00		NIST
Inp	2091.00		NIST
Tboil	912.57	K	Joback Calculated Property
Tc	1162.75	K	Joback Calculated Property
Tfus	617.11	K	Joback Calculated Property
Vc	0.832	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[645.14; 692.92]	J/mol×K	[912.57; 1162.75]
Cp,gas	645.14	J/mol×K	912.57	Joback Calculated Property
Cp,gas	655.96	J/mol×K	954.27	Joback Calculated Property
Cp,gas	665.59	J/mol×K	995.96	Joback Calculated Property
Cp,gas	674.06	J/mol×K	1037.66	Joback Calculated Property
Cp,gas	681.41	J/mol×K	1079.36	Joback Calculated Property
Cp,gas	687.68	J/mol×K	1121.05	Joback Calculated Property
Cp,gas	692.92	J/mol×K	1162.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Methylpentan-2-yl 3,5-dinitrobenzoate.

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.