Chemical Properties of Benzoic acid, 2-(3-cyclohexyl-3-methyltriazeno)-, methyl ester (CAS 116557-75-6)

Benzoic acid, 2-(3-cyclohexyl-3-methyltriazeno)-, methyl ester

InChI
InChI=1S/C15H21N3O2/c1-18(12-8-4-3-5-9-12)17-16-14-11-7-6-10-13(14)15(19)20-2/h6-7,10-12H,3-5,8-9H2,1-2H3/b17-16+
InChI Key
WBEQJYAIJWSKKY-WUKNDPDISA-N
Formula
C15H21N3O2
SMILES
COC(=O)c1ccccc1N=NN(C)C1CCCCC1
Molecular Weight1
275.35
CAS
116557-75-6
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Physical Properties

Property Value Unit Source
ΔfH°gas -119.76 kJ/mol Relay (1.0) Calculated Property
IE 7.82 eV Relay (1.0) Calculated Property
log10WS -3.51 Relay (1.0) Calculated Property
logPoct/wat 3.736 Crippen Calculated Property
McVol 220.670 ml/mol McGowan Calculated Property
Pc 1741.91 kPa Joback Calculated Property
Tboil 634.89 K Relay (1.0) Calculated Property
Tfus 326.66 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Similar Compounds

Diphenyl-(3-hydroxy-2-tropanyl)-carbinol. Beclomethasone, tetra-TMS. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. xanthosine-5'-monophosphate, TMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. DIHYDROMORPHINE. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl. DIHYDROMORPHINONE ACETATE. Methyldihydromorphine. Hydromorphone. Quinine, trimethylsilyl ether. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. inosine-5'-monophosphate, TMS. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Acetyldihydrocodeine.

Find more compounds similar to Benzoic acid, 2-(3-cyclohexyl-3-methyltriazeno)-, methyl ester.

Sources

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