Chemical Properties of 3-Buten-2-one, 4-hydroxy-4-(phenylamino)- (CAS 114113-11-0)

3-Buten-2-one, 4-hydroxy-4-(phenylamino)-

InChI
InChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-7,11,13H,1H3/b10-7-
InChI Key
IGKMBTGLQPCPNS-YFHOEESVSA-N
Formula
C10H11NO2
SMILES
CC(=O)C=C(O)Nc1ccccc1
Molecular Weight1
177.20
CAS
114113-11-0
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Physical Properties

Property Value Unit Source
ΔfH°gas -275.90 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.38 kJ/mol Joback Calculated Property
IE 7.83 eV Relay (1.0) Calculated Property
log10WS -2.13 Relay (1.0) Calculated Property
logPoct/wat 2.087 Crippen Calculated Property
McVol 141.120 ml/mol McGowan Calculated Property
Tboil 566.18 K Relay (1.0) Calculated Property
Tfus 392.70 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [352.59; 406.29] J/mol×K [655.34; 867.03] Show Hide
Cp,gas 352.59 J/mol×K 655.34 Joback Calculated Property
Cp,gas 363.21 J/mol×K 690.62 Joback Calculated Property
Cp,gas 373.10 J/mol×K 725.90 Joback Calculated Property
Cp,gas 382.30 J/mol×K 761.18 Joback Calculated Property
Cp,gas 390.86 J/mol×K 796.47 Joback Calculated Property
Cp,gas 398.84 J/mol×K 831.75 Joback Calculated Property
Cp,gas 406.29 J/mol×K 867.03 Joback Calculated Property

Similar Compounds

3-Buten-2-one, 4-[(4-chlorophenyl)amino]-4-hydroxy-. 1,2-Naphthalenedione, 4-(phenylamino)-. Carbamothioic acid,phenyl-0-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)ester,endo-. Carbamothioic acid,phenyl-o-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)ester,exo-. O-nitro carbanilic acid, 4-terpinenol ester. Cloxazolam. 2-Pyridinecarbamic acid, 6-amino-4-[[2-hydroxy-3-(methylphenylamino)propyl]amino]-5-nitro-, ethyl ester. 7-ethyl-3-methyl-2-methoxy-2,3-dihydroindole. Nefazodone-M (HO-ethyl-desamino-HO-) AC. Pyrido[2,3-b]pyrazine-6-carbamic acid, 8-[(diphenylmethyl)amino]-2,3-diphenyl-, ethyl ester. Isothipendyl M (nor-), acetylated. meloxicam. Doxepin M(Nor-HO), diacetylated, isomer # 1. Isothipendyl M (nor-hydroxy-), acetylated. 3-Ethyl-2-isopropyl-3,5-dimethyl-1,4,2-diazaphosphorine-2-oxide.

Find more compounds similar to 3-Buten-2-one, 4-hydroxy-4-(phenylamino)-.

Sources

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