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

InChI

InChI=1S/C14H18N2O6/c1-8(2)13(9(3)4)22-14(17)10-5-11(15(18)19)7-12(6-10)16(20)21/h5-9,13H,1-4H3

InChI Key

BVZGIOBDGBDXJU-UHFFFAOYSA-N

Formula

C14H18N2O6

SMILES

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

Molecular Weight¹

310.30

• 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°	-9.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-400.86	kJ/mol	Joback Calculated Property
ΔfusH°	40.22	kJ/mol	Joback Calculated Property
ΔvapH°	91.53	kJ/mol	Joback Calculated Property
log10WS	-5.16		Crippen Calculated Property
logPoct/wat	3.340		Crippen Calculated Property
McVol	226.640	ml/mol	McGowan Calculated Property
Pc	2129.52	kPa	Joback Calculated Property
Inp	[2144.00; 2144.00]
Inp	2144.00		NIST
Inp	2144.00		NIST
Tboil	935.01	K	Joback Calculated Property
Tc	1185.28	K	Joback Calculated Property
Tfus	613.38	K	Joback Calculated Property
Vc	0.881	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[701.85; 750.42]	J/mol×K	[935.01; 1185.28]
Cp,gas	701.85	J/mol×K	935.01	Joback Calculated Property
Cp,gas	712.95	J/mol×K	976.72	Joback Calculated Property
Cp,gas	722.78	J/mol×K	1018.43	Joback Calculated Property
Cp,gas	731.40	J/mol×K	1060.15	Joback Calculated Property
Cp,gas	738.85	J/mol×K	1101.86	Joback Calculated Property
Cp,gas	745.17	J/mol×K	1143.57	Joback Calculated Property
Cp,gas	750.42	J/mol×K	1185.28	Joback Calculated Property

Similar Compounds

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

Sources

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

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