Chemical Properties of 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro-5-methyl- (CAS 70656-87-0)

3H-1,4-Benzodiazepin-2-one, 1,2-dihydro-5-methyl-

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InChI
InChI=1S/C10H10N2O/c1-7-8-4-2-3-5-9(8)12-10(13)6-11-7/h2-5H,6H2,1H3,(H,12,13)
InChI Key
DIDPQMKDRMWTTD-UHFFFAOYSA-N
Formula
C10H10N2O
SMILES
CC1=NCC(O)=Nc2ccccc21
Molecular Weight1
174.20
CAS
70656-87-0
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Physical Properties

Property Value Unit Source
ΔfG° 317.76 kJ/mol Joback Calculated Property
ΔfH°gas 138.48 kJ/mol Joback Calculated Property
ΔfusH° 24.20 kJ/mol Joback Calculated Property
ΔvapH° 72.36 kJ/mol Joback Calculated Property
IE 7.80 eV NIST
log10WS -1.82 Crippen Calculated Property
logPoct/wat 2.097 Crippen Calculated Property
McVol 134.370 ml/mol McGowan Calculated Property
Pc 4368.40 kPa Joback Calculated Property
Tboil 687.67 K Joback Calculated Property
Tc 929.40 K Joback Calculated Property
Tfus 487.00 K Joback Calculated Property
Vc 0.518 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [375.21; 438.38] J/mol×K [687.67; 929.40] Show Hide
Cp,gas 375.21 J/mol×K 687.67 Joback Calculated Property
Cp,gas 388.45 J/mol×K 727.96 Joback Calculated Property
Cp,gas 400.60 J/mol×K 768.25 Joback Calculated Property
Cp,gas 411.66 J/mol×K 808.53 Joback Calculated Property
Cp,gas 421.63 J/mol×K 848.82 Joback Calculated Property
Cp,gas 430.54 J/mol×K 889.11 Joback Calculated Property
Cp,gas 438.38 J/mol×K 929.40 Joback Calculated Property

Similar Compounds

7-Amino-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one. Desalkylflurazepam, trimethylsilyl derivative. Lorazepam. Dehydrocytisine. «delta»1-tetrahydrocannabinolic acid, phenyl-boronate. (E)-Methyl 2-((1'R,6'R,7'S,8a'S)-6'-ethyl-2-oxo-3',5',6',7',8',8a'-hexahydro-2'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate. N-Desmethylflunitrazepam, trimethylsilyl derivative. 2H-benzo[a]quinolizine-3-carboxamide,n,n-diethyl-1,3,4,6,7,11b-hexahydro-2-hydroxy-9,10-dimethoxy-,methyl ester carbonate. Aflatoxin G1. Aflatoxin B2. Jacozine. 3'-trans-cinnamoylindicine. Bialophos, N,O,O-tris(tert-butyldimethylsilyl)deriv.. 3'-cis-cinnamoylindicine. [7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 1H-pyrrole-3-carboxylate.

Find more compounds similar to 3H-1,4-Benzodiazepin-2-one, 1,2-dihydro-5-methyl-.

Sources

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