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_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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[868.77; 1070.65]	J/mol×K	[1013.86; 1285.51]
Cp,gas	868.77	J/mol×K	1013.86	Joback Calculated Property
Cp,gas	895.41	J/mol×K	1059.14	Joback Calculated Property
Cp,gas	924.22	J/mol×K	1104.41	Joback Calculated Property
Cp,gas	955.67	J/mol×K	1149.69	Joback Calculated Property
Cp,gas	990.25	J/mol×K	1194.96	Joback Calculated Property
Cp,gas	1028.42	J/mol×K	1240.24	Joback Calculated Property
Cp,gas	1070.65	J/mol×K	1285.51	Joback Calculated Property

Similar Compounds

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

Sources

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

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