Chemical Properties of 3-(Benzylmethylamino)-1-propanol (CAS 5814-42-6)

3-(Benzylmethylamino)-1-propanol

InChI
InChI=1S/C11H17NO/c1-12(8-5-9-13)10-11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3
InChI Key
YQAUZGVTGQVMPM-UHFFFAOYSA-N
Formula
C11H17NO
SMILES
CN(CCCO)Cc1ccccc1
Molecular Weight1
179.26
CAS
5814-42-6
Other Names
  • 1-Propanol, 3-[methyl(phenylmethyl)amino]-
  • 3-(N-benzyl-N-methylamino)propan-1-ol
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Physical Properties

Property Value Unit Source
ΔfH°gas -118.48 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.40 kJ/mol Joback Calculated Property
ΔvapH° 86.35 kJ/mol Relay (1.0) Calculated Property
IE 8.34 eV Relay (1.0) Calculated Property
log10WS -0.35 Relay (1.0) Calculated Property
logPoct/wat 1.501 Crippen Calculated Property
McVol 157.940 ml/mol McGowan Calculated Property
Pc 2912.39 kPa Joback Calculated Property
Tboil 564.55 K Relay (1.0) Calculated Property
Tfus 267.40 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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 [394.53; 466.06] J/mol×K [582.58; 770.56] Show Hide
Cp,gas 394.53 J/mol×K 582.58 Joback Calculated Property
Cp,gas 408.27 J/mol×K 613.91 Joback Calculated Property
Cp,gas 421.23 J/mol×K 645.24 Joback Calculated Property
Cp,gas 433.46 J/mol×K 676.57 Joback Calculated Property
Cp,gas 444.98 J/mol×K 707.90 Joback Calculated Property
Cp,gas 455.84 J/mol×K 739.23 Joback Calculated Property
Cp,gas 466.06 J/mol×K 770.56 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 406.70 K 0.50 NIST

Similar Compounds

4-Piperidinol, 1-(phenylmethyl)-. 4-(N-methylbenzylamino)-1-butyne. Methyl(n-cyanomethyl-n-benzyl)-beta-aminopropionate. Piperidine, 1-(phenylmethyl)-. N-benzyl-n'-(beta-hydroxyethyl) homopiperazine. Ethanol, 2-[methyl(phenylmethyl)amino]-. 4-Piperidinone, 1-(phenylmethyl)-. Ethyl 3-(benzyl-acetamino)propanoate. N-benzylmethylamino-acetone. Beta-alanine, n-benzyl-n-carboxymethyl, diethyl ester. Ethyl N-benzyl-N-(trifluoroacetyl)-.beta.-alaninate. 5-Benzyl-2,5-diaza-cycloheptanone. 1,2-Ethanediamine, N,N'-dimethyl-N,N'-bis(phenylmethyl)-. BENZYLDIETHYLAMINE. Urea, 1-benzyl-1-cyclopropyl-3-methyl-.

Find more compounds similar to 3-(Benzylmethylamino)-1-propanol.

Sources

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