Chemical Properties of 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol

4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol

InChI
InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
InChI Key
NDAUXUAQIAJITI-UHFFFAOYSA-N
Formula
C13H21NO3
SMILES
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Molecular Weight1
239.32
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Physical Properties

Property Value Unit Source
ω 0.9150 Relay (1.0) Calculated Property
Δf -177.11 kJ/mol Joback Calculated Property
Δfgas -532.50 kJ/mol Relay (1.0) Calculated Property
Δfus 31.20 kJ/mol Joback Calculated Property
Δvap 120.66 kJ/mol Relay (1.0) Calculated Property
IE 7.77 eV Relay (1.0) Calculated Property
log10WS -0.68 Aq. Solubility Prediction
logPoct/wat 1.306 Crippen Calculated Property
McVol 197.860 ml/mol McGowan Calculated Property
Pc 3166.83 kPa Joback Calculated Property
Tboil 609.70 K Relay (1.0) Calculated Property
Tc 862.24 K Relay (1.0) Calculated Property
Tfus 427.40 K Aq. Solubility Prediction
Vc 0.696 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [617.74; 679.77] J/mol×K [839.98; 1043.86] Show Hide
Cp,gas 617.74 J/mol×K 839.98 Joback Calculated Property
Cp,gas 628.91 J/mol×K 873.96 Joback Calculated Property
Cp,gas 639.63 J/mol×K 907.94 Joback Calculated Property
Cp,gas 649.98 J/mol×K 941.92 Joback Calculated Property
Cp,gas 660.07 J/mol×K 975.90 Joback Calculated Property
Cp,gas 669.97 J/mol×K 1009.88 Joback Calculated Property
Cp,gas 679.77 J/mol×K 1043.86 Joback Calculated Property

Similar Compounds

Labetalol. Quinapril desethyl 3Me (Quinaprilate 3Me). Labetalol, O,O,N-triacetyl deriv.. Quinidine. Quinapril Me. Quinine. 1,2-Benzenediol, 4-[2-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-. Quinapril desethyl - H2O Me (Quinaprilate - H2O Me). Atropine, picolinyloxydimethylsilyl ether. Nadolol, acetylated. Nadolol, N-methyl-, trimethyl ether. Moexipril Me. Moexipril desethyl 3Me (Moexprilate 3Me). Hydrocodone. ethyl eburnamenine-14-carboxylate.

Find more compounds similar to 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol.

Sources

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