Chemical Properties of O-nitro carbanilic acid, cedrol ester (CAS 104913-49-7)

O-nitro carbanilic acid, cedrol ester

InChI
InChI=1S/C22H30N2O4/c1-14-9-10-17-20(2,3)18-13-22(14,17)12-11-21(18,4)28-19(25)23-15-7-5-6-8-16(15)24(26)27/h5-8,14,17-18H,9-13H2,1-4H3,(H,23,25)
InChI Key
HFRKDCZGTMMNIX-UHFFFAOYSA-N
Formula
C22H30N2O4
SMILES
CC1CCC2C(C)(C)C3CC12CCC3(C)OC(=O)Nc1ccccc1[N+](=O)[O-]
Molecular Weight1
386.48
CAS
104913-49-7
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Physical Properties

Property Value Unit Source
ΔfusH° 41.74 kJ/mol Joback Calculated Property
IE 8.52 eV Relay (1.0) Calculated Property
log10WS -5.87 Relay (1.0) Calculated Property
logPoct/wat 5.774 Crippen Calculated Property
McVol 299.340 ml/mol McGowan Calculated Property
Tfus 408.50 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [1116.89; 1391.43] J/mol×K [1010.32; 1269.23] Show Hide
Cp,gas 1116.89 J/mol×K 1010.32 Joback Calculated Property
Cp,gas 1152.68 J/mol×K 1053.47 Joback Calculated Property
Cp,gas 1191.64 J/mol×K 1096.62 Joback Calculated Property
Cp,gas 1234.38 J/mol×K 1139.77 Joback Calculated Property
Cp,gas 1281.52 J/mol×K 1182.92 Joback Calculated Property
Cp,gas 1333.66 J/mol×K 1226.08 Joback Calculated Property
Cp,gas 1391.43 J/mol×K 1269.23 Joback Calculated Property

Similar Compounds

O-nitro carbanilic acid, bornyl ester. O-nitro carbanilic acid, l-menthyl ester. O-nitro carbanilic acid, tetrahydrolinalyl ester. O-nitro carbanilic acid, fenchyl ester. O-nitro carbanilic acid, 7,8-dihydrolinalyl ester. O-nitro carbanilic acid, 4-terpinenol ester. O-nitro carbanilic acid, isopulegol ester. O-nitro carbanilic acid, carveol ester. P-phenyl azo carbanilic acid, cedrol ester. 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside. naringin. N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 2). N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 1). Hydromorphone. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-.

Find more compounds similar to O-nitro carbanilic acid, cedrol ester.

Sources

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