Chemical Properties of 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- (CAS 77-99-6)

1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-

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InChI
InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3
InChI Key
ZJCCRDAZUWHFQH-UHFFFAOYSA-N
Formula
C6H14O3
SMILES
CCC(CO)(CO)CO
Molecular Weight1
134.17
CAS
77-99-6
Other Names
  • 1,1,1-Tri(hydroxymethyl)propane
  • 1,1,1-Trimethylolpropane
  • 1,1,1-Tris(Hydroxymethyl)propane
  • 1,1,1-trihydroxymethylpropane
  • 2,2-Bis(hydroxymethyl)-1-butanol
  • 2,2-dihydroxymethyl-1-butanol
  • 2-Ethyl-2-(hydroxymethyl)-1,3-propanediol
  • 2-Ethyl-2-(hydroxymethyl)propanediol
  • Butanol, 2,2-bis(hydroxymethyl)-
  • Ethriol
  • Ethyltrimethylolmethane
  • Etriol
  • Ettriol
  • Hexaglycerine
  • Hexaglycerol
  • Methanol, (propanetriyl)tris-
  • NSC 3576
  • Propane, 1,1,1-tris(hydroxymethyl)-
  • TMP
  • TMP (Alcohol)
  • Tri(hydroxymethyl)propane
  • Trimethylolpropane
  • Tris(hydroxymethyl)propane
  • propylidynetrimethanol
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Physical Properties

Property Value Unit Source
Δcsolid -3611.00 kJ/mol NIST
Δf -407.98 kJ/mol Joback Calculated Property
Δfgas -632.61 kJ/mol Joback Calculated Property
Δfsolid [-751.00; -746.40] kJ/mol Show Hide
Δfsolid -746.40 kJ/mol NIST
Δfsolid -751.00 kJ/mol NIST
Δfus 16.15 kJ/mol Joback Calculated Property
Δvap 77.69 kJ/mol Joback Calculated Property
log10WS 0.12 Crippen Calculated Property
logPoct/wat -0.640 Crippen Calculated Property
McVol 113.010 ml/mol McGowan Calculated Property
Pc 4450.38 kPa Joback Calculated Property
Tboil 609.99 K Joback Calculated Property
Tc 772.16 K Joback Calculated Property
Tfus 342.26 K Joback Calculated Property
Ttriple 333.40 ± 0.05 K NIST
Vc 0.417 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [304.02; 344.94] J/mol×K [609.99; 772.16] Show Hide
Cp,gas 304.02 J/mol×K 609.99 Joback Calculated Property
Cp,gas 311.71 J/mol×K 637.02 Joback Calculated Property
Cp,gas 319.03 J/mol×K 664.05 Joback Calculated Property
Cp,gas 325.99 J/mol×K 691.08 Joback Calculated Property
Cp,gas 332.62 J/mol×K 718.11 Joback Calculated Property
Cp,gas 338.93 J/mol×K 745.13 Joback Calculated Property
Cp,gas 344.94 J/mol×K 772.16 Joback Calculated Property
Cp,solid 213.79 J/mol×K 301.29 NIST
η [0.0000112; 0.0351304] Pa×s [342.26; 609.99] Show Hide
η 0.0351304 Pa×s 342.26 Joback Calculated Property
η 0.0042401 Pa×s 386.88 Joback Calculated Property
η 0.0007925 Pa×s 431.50 Joback Calculated Property
η 0.0002028 Pa×s 476.12 Joback Calculated Property
η 0.0000656 Pa×s 520.75 Joback Calculated Property
η 0.0000253 Pa×s 565.37 Joback Calculated Property
η 0.0000112 Pa×s 609.99 Joback Calculated Property
ΔfusH [0.90; 21.45] kJ/mol [312.00; 333.40] Show Hide
ΔfusH 21.45 kJ/mol 312.00 NIST
ΔfusH 0.90 kJ/mol 332.70 NIST
ΔfusH 21.45 kJ/mol 333.40 NIST
ΔvapH 81.40 kJ/mol 501.50 NIST
ΔfusS 64.30 J/mol×K 333.40 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 433.20 K 0.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [451.21; 595.27] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A2.10282e+01
Coefficient B-9.34767e+03
Coefficient C-5.15000e-01
Temperature range, min.451.21
Temperature range, max.595.27
Pvap 1.33 kPa 451.21 Calculated Property
Pvap 2.72 kPa 467.22 Calculated Property
Pvap 5.28 kPa 483.22 Calculated Property
Pvap 9.82 kPa 499.23 Calculated Property
Pvap 17.60 kPa 515.24 Calculated Property
Pvap 30.43 kPa 531.24 Calculated Property
Pvap 50.96 kPa 547.25 Calculated Property
Pvap 82.87 kPa 563.26 Calculated Property
Pvap 131.20 kPa 579.26 Calculated Property
Pvap 202.64 kPa 595.27 Calculated Property

Similar Compounds

2-Ethyl-2-methyl-1,3-propanediol. 1,3-Propanediol, 2,2-diethyl-. 1-Butanol, 2,2-dimethyl-. 1,3-Propanediol, 2-methyl-2-propyl-. 3-Ethyl-3-hydroxymethyl oxetane. 1,3-Propanediol, 2-butyl-2-ethyl-. 1-Methylcyclopropanemethanol. 1-Pentanol, 2,2-dimethyl-. 2,2-Dimethyl-1,3-butanediol. 1-Hexanol, 2,2-dimethyl-. 2,2-Dimethyl heptanol. 2-Methyl-2-propyl-1-pentanol. 1-Octanol, 2,2-dimethyl-. 1-Decanol, 2,2-dimethyl-. 1-Hexanol, 2-ethyl-2-propyl-.

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

Mixtures

Sources

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