Chemical Properties of 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dinitrobenzoate (CAS 892105-21-4)

InChI

InChI=1S/C17H20N2O6/c1-16(2)11-4-5-17(16,3)14(8-11)25-15(20)10-6-12(18(21)22)9-13(7-10)19(23)24/h6-7,9,11,14H,4-5,8H2,1-3H3

InChI Key

QOMUVRIFQWSYPD-UHFFFAOYSA-N

Formula

C17H20N2O6

SMILES

CC1(C)C2CCC1(C)C(OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2

Molecular Weight¹

348.35

CAS

892105-21-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[859.40; 1048.46]	J/mol×K	[995.99; 1266.53]
Cp,gas	859.40	J/mol×K	995.99	Joback Calculated Property
Cp,gas	884.56	J/mol×K	1041.08	Joback Calculated Property
Cp,gas	911.63	J/mol×K	1086.17	Joback Calculated Property
Cp,gas	941.09	J/mol×K	1131.26	Joback Calculated Property
Cp,gas	973.40	J/mol×K	1176.35	Joback Calculated Property
Cp,gas	1009.03	J/mol×K	1221.44	Joback Calculated Property
Cp,gas	1048.46	J/mol×K	1266.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dinitrobenzoate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.