Chemical Properties of N,N-Bis[(hydroxyethyl)trimethylene]diamine (CAS 4985-85-7)

N,N-Bis[(hydroxyethyl)trimethylene]diamine

InChI
InChI=1S/C7H18N2O2/c8-2-1-3-9(4-6-10)5-7-11/h10-11H,1-8H2
InChI Key
FKJVYOFPTRGCSP-UHFFFAOYSA-N
Formula
C7H18N2O2
SMILES
NCCCN(CCO)CCO
Molecular Weight1
162.23
CAS
4985-85-7
Other Names
  • Ethanol, 2,2'-[(3-aminopropyl)imino]bis-
  • Aminopropyldiethanolamine
  • Ethanol, 2,2'-(aminopropylimino)-
  • Ethanol, 2,2'-((3-aminopropyl)imino)di-
  • N-(3-Aminopropyl)diethanolamine
  • N,N-Bis(hydroxyethyl)-1,3-propanediamine
  • N,N-Bis(2-hydroxyethyl)-1,3-propanediamine
  • N,N-Di(2-hydroxyethyl)-1,3-propanediamine
  • 2,2'-((3-Aminopropyl)imino)diethanol
  • (3-Aminopropyl)diethanolamine
  • NSC 8172
  • N-(3-aminopropyl)iminodiethanol
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Physical Properties

Property Value Unit Source
ΔfH°gas -400.10 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.28 kJ/mol Joback Calculated Property
ΔvapH° 95.54 kJ/mol Relay (1.0) Calculated Property
IE 8.54 eV Relay (1.0) Calculated Property
logPoct/wat -1.378 Crippen Calculated Property
McVol 141.190 ml/mol McGowan Calculated Property
Tboil 480.00 K NIST
Tfus 284.74 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 440.50 ± 2.50 K 0.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [214.86; 491.81] 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 A2.90700e+00
Coefficient B9.22600e-01
Coefficient C-5.73800e-04
Coefficient D1.40100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 214.86 J/mol×K 273.00 Calculated Property
Cp,gas 263.69 J/mol×K 353.78 Calculated Property
Cp,gas 306.97 J/mol×K 434.56 Calculated Property
Cp,gas 345.14 J/mol×K 515.33 Calculated Property
Cp,gas 378.66 J/mol×K 596.11 Calculated Property
Cp,gas 407.95 J/mol×K 676.89 Calculated Property
Cp,gas 433.47 J/mol×K 757.67 Calculated Property
Cp,gas 455.66 J/mol×K 838.44 Calculated Property
Cp,gas 474.96 J/mol×K 919.22 Calculated Property
Cp,gas 491.81 J/mol×K 1000.00 Calculated Property

Similar Compounds

4-Morpholinepropanamine. 2-(dipropylamino)ethanol. N,N-DIETHYL-1,3-PROPANEDIAMINE. 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-. Ethanol, 2,2'-(butylimino)bis-. 2-(DIBUTYLAMINO)ETHANOL. 1-(2-HYDROXYETHYL)PYRROLIDINE. 1,3-Propanediamine, N,N-dibutyl-. 1-Piperidineethanol. 2-Propanol, 1-[bis(2-hydroxyethyl)amino]-. 1,4-Bis(3-aminopropyl)piperazine. 1,1'-[(2-hydroxyethyl)imino]dipropan-2-ol. N-(.beta.-Hydroxyethyl)hexamethyleneimine. n-Hexyl-2,2'-iminodiethanol. Ethanol, 2,2'-(dodecylimino)bis-.

Find more compounds similar to N,N-Bis[(hydroxyethyl)trimethylene]diamine.

Sources

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