Chemical Properties of Tetraethylenepentamine (CAS 112-57-2)

Tetraethylenepentamine

InChI
InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2
InChI Key
FAGUFWYHJQFNRV-UHFFFAOYSA-N
Formula
C8H23N5
SMILES
NCCNCCNCCNCCN
Molecular Weight1
189.30
CAS
112-57-2
Other Names
  • 1,11-Diamino-3,6,9-triazaundecane
  • 1,2-Ethanediamine, N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]-
  • 1,2-Ethanediamine, N1-(2-aminoethyl)-N2-[2-[(2-aminoethyl)amino]ethyl]-
  • 1,4,7,10,13-Pentaazatridecane
  • 3,6,9-Triazaundecamethylenediamine
  • 3,6,9-Triazaundecane-1,11-diamine
  • D.E.H. 26
  • DEH 26
  • N-(2-Aminoethyl)-N'-(2-((2-aminoethyl)amino)ethyl)-1,2-ethanediamine
  • NSC 88603
  • TEPA
  • Tetraethylene pentamine
  • Tetraethylenpentamine
  • Tetren
  • Texlin 400
  • UN 2320
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Physical Properties

Property Value Unit Source
Tig 594.15 K NCMS SOLV-DB
Tflash,cc 436.15 K NCMS SOLV-DB
ΔfusH° 42.17 kJ/mol Joback Calculated Property
ΔvapH° 93.95 kJ/mol Relay (1.0) Calculated Property
logPoct/wat -1.503 NCMS SOLV-DB
McVol 173.480 ml/mol McGowan Calculated Property
NFPA Fire 1 NCMS SOLV-DB
NFPA Health 2 NCMS SOLV-DB
NFPA Safety 0 NCMS SOLV-DB
Pc 2976.29 kPa Joback Calculated Property
Tboil [606.15; 613.20] K Show Hide
Tboil 606.15 K NCMS SOLV-DB
Tboil 613.20 K NIST
Tboil 613.15 K NIST
Tc 795.52 K Relay (1.0) Calculated Property
Tfus [233.15; 243.15] K Show Hide
Tfus 238.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 233.15 K NCMS SOLV-DB
Tfus 243.15 K NIST

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid 460.00 J/mol×K 333.00 NIST
ΔvapH 71.30 kJ/mol 539.50 NIST
Pvap 1.07e-07 kPa 298.15 NCMS SOLV-DB
n0 1.50500 298.15 NCMS SOLV-DB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [264.49; 614.67] 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 A4.96800e+00
Coefficient B1.11620e+00
Coefficient C-6.44000e-04
Coefficient D1.37500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 264.49 J/mol×K 273.00 Calculated Property
Cp,gas 325.34 J/mol×K 353.78 Calculated Property
Cp,gas 379.69 J/mol×K 434.56 Calculated Property
Cp,gas 427.97 J/mol×K 515.33 Calculated Property
Cp,gas 470.63 J/mol×K 596.11 Calculated Property
Cp,gas 508.09 J/mol×K 676.89 Calculated Property
Cp,gas 540.79 J/mol×K 757.67 Calculated Property
Cp,gas 569.16 J/mol×K 838.44 Calculated Property
Cp,gas 593.64 J/mol×K 919.22 Calculated Property
Cp,gas 614.67 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [478.39; 644.07] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.69792e+01
Coefficient B-6.42262e+03
Coefficient C-9.36070e+01
Temperature range, min.478.39
Temperature range, max.644.07
Pvap 1.33 kPa 478.39 Calculated Property
Pvap 2.86 kPa 496.80 Calculated Property
Pvap 5.73 kPa 515.21 Calculated Property
Pvap 10.83 kPa 533.62 Calculated Property
Pvap 19.47 kPa 552.03 Calculated Property
Pvap 33.44 kPa 570.43 Calculated Property
Pvap 55.17 kPa 588.84 Calculated Property
Pvap 87.81 kPa 607.25 Calculated Property
Pvap 135.35 kPa 625.66 Calculated Property
Pvap 202.66 kPa 644.07 Calculated Property
Pvap [1.65e-12; 2419.46] kPa [243.00; 774.00] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A1.66550e+02
Coefficient B-1.98757e+04
Coefficient C-2.04173e+01
Coefficient D4.55318e-06
Coefficient E0.00000e+00
Temperature range, min.243.00
Temperature range, max.774.00
Pvap 1.65e-12 kPa 243.00 Calculated Property
Pvap 1.97e-07 kPa 302.00 Calculated Property
Pvap 2.89e-04 kPa 361.00 Calculated Property
Pvap 0.04 kPa 420.00 Calculated Property
Pvap 1.10 kPa 479.00 Calculated Property
Pvap 12.72 kPa 538.00 Calculated Property
Pvap 79.39 kPa 597.00 Calculated Property
Pvap 324.12 kPa 656.00 Calculated Property
Pvap 983.57 kPa 715.00 Calculated Property
Pvap 2419.46 kPa 774.00 Calculated Property

Similar Compounds

Triethylenetetramine. 1,2-Ethanediamine, N,N'-bis(2-aminoethyl)-. 1,2-Ethanediamine, N-(2-aminoethyl)-. 1,2-Ethanediamine, N-ethyl-. 1,2-Ethanediamine, N,N'-diethyl-. Piperazine. 1,2-Ethanediamine, N-ethyl-N'-methyl-. N-[(2-Aminoethyl)2-aminoethyl]piperazine. 1,2-Ethanediamine, N'-(2-aminoethyl)-N,N-diethyl-. 1-Piperazineethanamine. 1,2-Ethanediamine, N-methyl-. Dipiperazinylethane. 1,2-Ethanediamine, N'-ethyl-N,N-dimethyl-. Ethanol, 2-[(2-aminoethyl)amino]-. N-Isopropylethylenediamine.

Find more compounds similar to Tetraethylenepentamine.

Sources

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