Chemical Properties of 1,2-Propanediol, 3-(dimethylamino)- (CAS 623-57-4)

1,2-Propanediol, 3-(dimethylamino)-

InChI
InChI=1S/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3
InChI Key
QCMHUGYTOGXZIW-UHFFFAOYSA-N
Formula
C5H13NO2
SMILES
CN(C)CC(O)CO
Molecular Weight1
119.16
CAS
623-57-4
Other Names
  • 3-(Dimethylamino)-1,2-propanediol
  • 1-Dimethylamino-2,3-propanediol
  • 3-dimethylaminopropane-1,2-diol
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Physical Properties

Property Value Unit Source
ΔfH°gas -401.51 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 16.38 kJ/mol Joback Calculated Property
ΔvapH° 79.92 kJ/mol Relay (1.0) Calculated Property
IE 8.47 eV Relay (1.0) Calculated Property
log10WS 1.32 Relay (1.0) Calculated Property
logPoct/wat -1.099 Crippen Calculated Property
McVol 103.030 ml/mol McGowan Calculated Property
Pc 4397.41 kPa Joback Calculated Property
Tboil 489.70 K NIST
Tc 687.33 K Relay (1.0) Calculated Property
Tfus 285.48 K Relay (1.0) Calculated Property
Vc 0.381 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [151.75; 353.19] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.44800e+00
Coefficient B6.76640e-01
Coefficient C-4.24800e-04
Coefficient D1.04800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 151.75 J/mol×K 273.00 Calculated Property
Cp,gas 187.41 J/mol×K 353.78 Calculated Property
Cp,gas 218.97 J/mol×K 434.56 Calculated Property
Cp,gas 246.78 J/mol×K 515.33 Calculated Property
Cp,gas 271.15 J/mol×K 596.11 Calculated Property
Cp,gas 292.43 J/mol×K 676.89 Calculated Property
Cp,gas 310.94 J/mol×K 757.67 Calculated Property
Cp,gas 327.02 J/mol×K 838.44 Calculated Property
Cp,gas 340.99 J/mol×K 919.22 Calculated Property
Cp,gas 353.19 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-(DIETHYLAMINO)-1,2-PROPANEDIOL. 3-DIPROPYLAMINO-1,2-PROPANEDIOL. 2-Propanol, 1-(dimethylamino)-. 2-Propanol, 1,3-bis(dimethylamino)-. 1-METHYL-3-PYRROLIDINOL. 2-Propanol, 1,1',1''-nitrilotris-. 2-Propanol, 1-[bis(2-hydroxyethyl)amino]-. 2-Propanol, 1-(diethylamino)-. 1,1'-[(2-hydroxyethyl)imino]dipropan-2-ol. 1-Ethyl-3-pyrrolidinol. Dropropizine. 1,4-Piperazinediethanol, «alpha»,«alpha»'-dimethyl-. N,N-Bis(3-phenoxy-2-hydroxypropyl)butyl amine. tris-(2,3-Dihydroxypropyl)amine, hexakis-TMS. Propylamine, n,n-diethyl-2,3-epoxy-.

Find more compounds similar to 1,2-Propanediol, 3-(dimethylamino)-.

Sources

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