Chemical Properties of 3,7-Dimethyloct-6-enyl 3,5-dinitrobenzoate

InChI

InChI=1S/C17H22N2O6/c1-12(2)5-4-6-13(3)7-8-25-17(20)14-9-15(18(21)22)11-16(10-14)19(23)24/h5,9-11,13H,4,6-8H2,1-3H3

InChI Key

HEVIMRBTPATVSL-UHFFFAOYSA-N

Formula

C17H22N2O6

SMILES

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

Molecular Weight¹

350.37

• 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°	91.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-344.79	kJ/mol	Joback Calculated Property
ΔfusH°	53.93	kJ/mol	Joback Calculated Property
ΔvapH°	99.02	kJ/mol	Joback Calculated Property
log10WS	-6.39		Crippen Calculated Property
logPoct/wat	4.432		Crippen Calculated Property
McVol	264.610	ml/mol	McGowan Calculated Property
Pc	1716.03	kPa	Joback Calculated Property
Inp	[2580.00; 2580.00]
Inp	2580.00		NIST
Inp	2580.00		NIST
Tboil	1008.57	K	Joback Calculated Property
Tc	1254.70	K	Joback Calculated Property
Tfus	658.15	K	Joback Calculated Property
Vc	1.042	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[843.97; 898.65]	J/mol×K	[1008.57; 1254.70]
Cp,gas	843.97	J/mol×K	1008.57	Joback Calculated Property
Cp,gas	855.45	J/mol×K	1049.59	Joback Calculated Property
Cp,gas	865.87	J/mol×K	1090.61	Joback Calculated Property
Cp,gas	875.33	J/mol×K	1131.64	Joback Calculated Property
Cp,gas	883.89	J/mol×K	1172.66	Joback Calculated Property
Cp,gas	891.64	J/mol×K	1213.68	Joback Calculated Property
Cp,gas	898.65	J/mol×K	1254.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,7-Dimethyloct-6-enyl 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.