Chemical Properties of Diethanolamine (CAS 111-42-2)

Diethanolamine

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InChI
InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
InChI Key
ZBCBWPMODOFKDW-UHFFFAOYSA-N
Formula
C4H11NO2
SMILES
OCCNCCO
Molecular Weight1
105.14
CAS
111-42-2
Other Names
  • 2,2'-Dihydroxydiethylamine
  • 2,2'-IMINOBIS-ETHANOL
  • 2,2'-Iminobis[ethanol]
  • 2,2'-Iminodi-1-ethanol
  • 2,2'-Iminodiethanol
  • 2,2'-azanediylbis(ethan-1-ol)
  • 2-[(2-Hydroxyethyl)amino]ethanol
  • Bis(2-hydroxyethyl)amine
  • Bis(hydroxyethyl)amine
  • DEA
  • DIETHYLOLAMINE
  • Dabco DEOA-LF
  • Di(2-hydroxyethyl)amine
  • Diaethanolamin
  • Diethanol, 2,2'-imino-
  • Diethanolamin
  • Diethylamine, 2,2'-dihydroxy-
  • Diolamine
  • Ethanol, 2,2'-iminobis-
  • Ethanol, 2,2'-iminodi-
  • Iminodiethanol
  • N,N'-Iminodiethanol
  • N,N-Bis(2-hydroxyethyl)amine
  • N,N-Diethanolamine
  • NCI-C55174
  • NSC 4959
  • Niax DEOA-LF
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Physical Properties

Property Value Unit Source
PAff 953.00 kJ/mol NIST
BasG 920.00 kJ/mol NIST
Δcsolid -2652.30 ± 2.50 kJ/mol NIST
η 0.5665700 Pa×s Densiti...
Δf -201.45 kJ/mol Joback Calculated Property
Δfgas -397.10 ± 2.90 kJ/mol NIST
Δfsolid -493.80 ± 2.60 kJ/mol NIST
Δfus 19.39 kJ/mol Joback Calculated Property
Δsub [96.70; 105.90] kJ/mol Show Hide
Δsub 96.70 ± 1.20 kJ/mol NIST
Δsub 105.90 ± 2.00 kJ/mol NIST
Δvap 64.29 kJ/mol Joback Calculated Property
log10WS 0.79 Crippen Calculated Property
logPoct/wat -1.439 Crippen Calculated Property
McVol 88.940 ml/mol McGowan Calculated Property
NFPA Fire 1 KDB
NFPA Health 1 KDB
Pc 5065.79 kPa Joback Calculated Property
I [2141.00; 2200.00]   Show Hide
I 2200.00 NIST
I 2141.00 NIST
I 2180.00 NIST
I 2200.00 NIST
Tboil [541.55; 544.20] K Show Hide
Tboil 542.46 K Experim...
Tboil 544.20 K NIST
Tboil 541.55 K NIST
Tc 687.52 K Joback Calculated Property
Tfus [300.15; 301.20] K Show Hide
Tfus 300.15 K Thermod...
Tfus 301.15 K NIST
Tfus 301.10 ± 0.07 K NIST
Tfus 301.20 ± 0.60 K NIST
Vc 0.333 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [212.00; 249.93] J/mol×K [525.45; 687.52] Show Hide
Cp,gas 212.00 J/mol×K 525.45 Joback Calculated Property
Cp,gas 219.00 J/mol×K 552.46 Joback Calculated Property
Cp,gas 225.71 J/mol×K 579.47 Joback Calculated Property
Cp,gas 232.16 J/mol×K 606.48 Joback Calculated Property
Cp,gas 238.34 J/mol×K 633.49 Joback Calculated Property
Cp,gas 244.26 J/mol×K 660.50 Joback Calculated Property
Cp,gas 249.93 J/mol×K 687.52 Joback Calculated Property
Cp,solid 137.00 J/mol×K 298.15 NIST
η [0.0025220; 0.3805000] Pa×s [303.15; 423.15] Show Hide
η 0.3805000 Pa×s 303.15 Viscome...
η 0.1835000 Pa×s 313.15 Viscome...
η 0.1006000 Pa×s 323.15 Viscome...
η 0.0613600 Pa×s 333.15 Viscome...
η 0.0337900 Pa×s 343.15 Viscome...
η 0.0231350 Pa×s 353.15 Viscome...
η 0.0148080 Pa×s 363.15 Viscome...
η 0.0104110 Pa×s 373.15 Viscome...
η 0.0080110 Pa×s 383.15 Viscome...
η 0.0059850 Pa×s 393.15 Viscome...
η 0.0045840 Pa×s 403.15 Viscome...
η 0.0036090 Pa×s 413.15 Viscome...
η 0.0025220 Pa×s 423.15 Viscome...
ΔvapH [69.00; 77.00] kJ/mol [415.00; 522.50] Show Hide
ΔvapH 77.00 kJ/mol 415.00 NIST
ΔvapH 74.40 kJ/mol 482.50 NIST
ΔvapH 70.60 kJ/mol 490.00 NIST
ΔvapH 69.00 kJ/mol 522.50 NIST
Pvap [1.44; 4.94] kPa [427.50; 452.40] Show Hide
Pvap 1.44 kPa 427.50 Vapor P...
Pvap 1.94 kPa 433.00 Vapor P...
Pvap 2.94 kPa 441.40 Vapor P...
Pvap 3.94 kPa 447.40 Vapor P...
Pvap 4.94 kPa 452.40 Vapor P...
ρl [1050.24; 1107.05] kg/m3 [278.14; 363.15] Show Hide
ρl 1107.05 kg/m3 278.14 Densiti...
ρl 1103.88 kg/m3 283.14 Densiti...
ρl 1097.51 kg/m3 293.15 Densiti...
ρl 1096.10 kg/m3 293.15 Density...
ρl 1097.40 kg/m3 293.15 Volumet...
ρl 1097.61 kg/m3 293.15 Volumet...
ρl 1094.02 kg/m3 298.15 Densiti...
ρl 1091.06 kg/m3 303.14 Densiti...
ρl 1089.80 kg/m3 303.15 Density...
ρl 1090.79 kg/m3 303.15 Densiti...
ρl 1090.50 kg/m3 303.15 Volumet...
ρl 1091.17 kg/m3 303.15 Volumet...
ρl 1087.51 kg/m3 308.15 Densiti...
ρl 1084.49 kg/m3 313.14 Densiti...
ρl 1084.60 kg/m3 313.15 Volumet...
ρl 1083.90 kg/m3 313.15 Volumet...
ρl 1084.20 kg/m3 313.15 Densiti...
ρl 1083.70 kg/m3 313.15 Density...
ρl 1084.70 kg/m3 313.15 Density...
ρl 1080.86 kg/m3 318.15 Densiti...
ρl 1077.78 kg/m3 323.14 Densiti...
ρl 1077.88 kg/m3 323.15 Volumet...
ρl 1077.40 kg/m3 323.15 Density...
ρl 1077.10 kg/m3 323.15 Volumet...
ρl 1077.40 kg/m3 323.15 Density...
ρl 1077.49 kg/m3 323.15 Densiti...
ρl 1071.00 kg/m3 333.14 Densiti...
ρl 1071.11 kg/m3 333.14 Volumet...
ρl 1070.30 kg/m3 333.15 Density...
ρl 1070.30 kg/m3 333.15 Volumet...
ρl 1070.70 kg/m3 333.15 Density...
ρl 1064.14 kg/m3 343.14 Densiti...
ρl 1064.25 kg/m3 343.14 Volumet...
ρl 1063.50 kg/m3 343.15 Volumet...
ρl 1060.68 kg/m3 348.14 Densiti...
ρl 1057.31 kg/m3 353.14 Volumet...
ρl 1056.83 kg/m3 353.15 Densiti...
ρl 1050.24 kg/m3 363.15 Volumet...
csound,fluid [1660.36; 1739.20] m/s [293.15; 323.15] Show Hide
csound,fluid 1739.20 m/s 293.15 Density...
csound,fluid 1736.54 m/s 293.15 Density...
csound,fluid 1723.96 m/s 298.15 Density...
csound,fluid 1711.30 m/s 303.15 Density...
csound,fluid 1711.55 m/s 303.15 Density...
csound,fluid 1698.70 m/s 308.15 Density...
csound,fluid 1685.90 m/s 313.15 Density...
csound,fluid 1686.13 m/s 313.15 Density...
csound,fluid 1673.76 m/s 318.15 Density...
csound,fluid 1661.10 m/s 323.15 Density...
csound,fluid 1660.36 m/s 323.15 Density...
γ [0.04; 0.05] N/m [293.15; 323.20] Show Hide
γ 0.05 N/m 293.15 Density...
γ 0.05 N/m 298.15 Density...
γ 0.05 N/m 303.15 Density...
γ 0.05 N/m 303.20 Investi...
γ 0.05 N/m 313.15 Density...
γ 0.04 N/m 313.20 Investi...
γ 0.05 N/m 323.15 Density...
γ 0.04 N/m 323.20 Investi...

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [427.70; 490.20] K [1.30; 20.00] Show Hide
Tboilr 427.70 K 1.30 NIST
Tboilr 490.20 K 20.00 NIST

Datasets

Mass density, kg/m3

Fixed Measured
Pressure, kPa - Liquid Temperature, K - Liquid Mass density, kg/m3 - Liquid
100.00 298.15 1093.6
100.00 303.15 1090.4
100.00 308.15 1087.1
100.00 313.15 1083.8
100.00 318.15 1080.6
100.00 323.15 1077.4
100.00 328.15 1074.1
100.00 333.15 1070.8
100.00 338.15 1067.4
100.00 343.15 1064.0
100.00 348.15 1060.6
100.00 353.15 1057.2
100.00 358.15 1053.7
100.00 363.15 1050.1
700.00 373.15 1043.3
700.00 383.15 1035.5
700.00 393.15 1028.1
700.00 403.15 1020.5
700.00 413.15 1012.9
700.00 423.15 1004.8
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [425.18; 567.97] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.72949e+01
Coefficient B-5.79247e+03
Coefficient C-8.45980e+01
Temperature range, min.425.18
Temperature range, max.567.97
Pvap 1.33 kPa 425.18 Calculated Property
Pvap 2.84 kPa 441.05 Calculated Property
Pvap 5.68 kPa 456.91 Calculated Property
Pvap 10.73 kPa 472.78 Calculated Property
Pvap 19.27 kPa 488.64 Calculated Property
Pvap 33.13 kPa 504.51 Calculated Property
Pvap 54.74 kPa 520.37 Calculated Property
Pvap 87.32 kPa 536.24 Calculated Property
Pvap 134.93 kPa 552.10 Calculated Property
Pvap 202.65 kPa 567.97 Calculated Property
Pvap [7.74e-05; 102.80] kPa [301.15; 542.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A2.16769e+02
Coefficient B-1.89915e+04
Coefficient C-2.88239e+01
Coefficient D1.48221e-05
Temperature range, min.301.15
Temperature range, max.542.15
Pvap 7.74e-05 kPa 301.15 Calculated Property
Pvap 1.47e-03 kPa 327.93 Calculated Property
Pvap 0.02 kPa 354.71 Calculated Property
Pvap 0.11 kPa 381.48 Calculated Property
Pvap 0.57 kPa 408.26 Calculated Property
Pvap 2.23 kPa 435.04 Calculated Property
Pvap 7.15 kPa 461.82 Calculated Property
Pvap 19.55 kPa 488.59 Calculated Property
Pvap 47.13 kPa 515.37 Calculated Property
Pvap 102.80 kPa 542.15 Calculated Property

Similar Compounds

Ethanol, 2-(ethylamino)-. Ethanol, 2-(methylamino)-. 2-((2-[(2-Hydroxyethyl)amino]ethyl)amino)ethanol. Ethanol, 2-[(2-aminoethyl)amino]-. Ethanol, 2-[(1-methylethyl)amino]-. 2-(Propylamino)ethanol. Acetamide, N-(2-hydroxyethyl)-. 2-(tert-Butylamino)ethanol. Morpholine. Methyldiethanolamine. Triethanolamine. Diethylamine, 2-ethoxy-. Ethanol, 2-(butylamino)-. 1-Aziridineethanol. Ethyldiethanolamine.

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Mixtures

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Sources

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