Chemical Properties of Neopentyl glycol (CAS 126-30-7)

Neopentyl glycol

PDF Excel Molecule Calculator

InChI
InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3
InChI Key
SLCVBVWXLSEKPL-UHFFFAOYSA-N
Formula
C5H12O2
SMILES
CC(C)(CO)CO
Molecular Weight1
104.15
CAS
126-30-7
Other Names
  • 1,3-Dihydroxy-2,2-dimethylpropane
  • 1,3-Propanediol, 2,2-dimethyl-
  • 2,2-Dimethyl-1,3-dihydroxypropane
  • 2,2-Dimethyl-1,3-propanediol
  • 2,2-Dimethylpropane-1,3-diol
  • 2,2-Dimethyltrimethylene glycol
  • Dimethylolpropane
  • Dimethyltrimethylene glycol
  • Hydroxypivalyl alcohol
  • NPG
  • NPG Glycol
  • NSC 55836
  • Neol
  • Neopentanediol
  • Neopentylene glycol
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δcsolid -3131.30 ± 4.30 kJ/mol NIST
Δf -279.58 kJ/mol Joback Calculated Property
Δfgas -459.74 kJ/mol Joback Calculated Property
Δfsolid -551.00 ± 4.20 kJ/mol NIST
Δfus 12.24 kJ/mol Heat ca...
Δvap 58.79 kJ/mol Joback Calculated Property
log10WS -0.20 Crippen Calculated Property
logPoct/wat -0.003 Crippen Calculated Property
McVol 93.050 ml/mol McGowan Calculated Property
Pc 4474.22 kPa Joback Calculated Property
Inp 895.00 NIST
Tboil [473.00; 478.95] K Show Hide
Tboil 478.95 K Investi...
Tboil 475.65 ± 4.00 K NIST
Tboil 473.00 ± 2.00 K NIST
Tc 687.00 K Vapor-l...
Tfus [398.70; 403.00] K Show Hide
Tfus 400.50 ± 1.50 K NIST
Tfus 398.70 ± 2.00 K NIST
Tfus 400.00 ± 3.00 K NIST
Tfus 403.00 ± 1.50 K NIST
Tfus 403.00 ± 3.00 K NIST
Ttriple [314.95; 403.30] K Show Hide
Ttriple 314.95 K Phase t...
Ttriple 403.30 ± 0.10 K NIST
Vc 0.343 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [216.54; 259.45] J/mol×K [494.93; 661.34] Show Hide
Cp,gas 216.54 J/mol×K 494.93 Joback Calculated Property
Cp,gas 224.63 J/mol×K 522.67 Joback Calculated Property
Cp,gas 232.33 J/mol×K 550.40 Joback Calculated Property
Cp,gas 239.64 J/mol×K 578.14 Joback Calculated Property
Cp,gas 246.59 J/mol×K 605.87 Joback Calculated Property
Cp,gas 253.18 J/mol×K 633.61 Joback Calculated Property
Cp,gas 259.45 J/mol×K 661.34 Joback Calculated Property
Cp,solid [183.18; 183.18] J/mol×K [298.15; 298.15] Show Hide
Cp,solid 183.18 J/mol×K 298.15 NIST
Cp,solid 183.18 J/mol×K 298.15 NIST
η [0.0001025; 0.1849815] Pa×s [270.17; 494.93] Show Hide
η 0.1849815 Pa×s 270.17 Joback Calculated Property
η 0.0247700 Pa×s 307.63 Joback Calculated Property
η 0.0051321 Pa×s 345.09 Joback Calculated Property
η 0.0014473 Pa×s 382.55 Joback Calculated Property
η 0.0005115 Pa×s 420.01 Joback Calculated Property
η 0.0002144 Pa×s 457.47 Joback Calculated Property
η 0.0001025 Pa×s 494.93 Joback Calculated Property
ΔfusH [4.23; 13.80] kJ/mol [244.00; 403.20] Show Hide
ΔfusH 7.52 kJ/mol 244.00 NIST
ΔfusH 13.80 kJ/mol 315.20 NIST
ΔfusH 4.55 kJ/mol 401.20 NIST
ΔfusH 4.23 kJ/mol 401.60 NIST
ΔfusH 4.30 kJ/mol 402.50 NIST
ΔfusH 4.34 kJ/mol 402.80 NIST
ΔfusH 4.60 kJ/mol 403.20 NIST
ΔfusH 4.60 kJ/mol 403.20 NIST
ΔvapH 79.40 kJ/mol 440.00 NIST
Psub [0.01; 0.17] kPa [314.30; 347.20] Show Hide
Psub 0.01 kPa 314.30 Vapor P...
Psub 0.01 kPa 317.30 Vapor P...
Psub 0.02 kPa 320.20 Vapor P...
Psub 0.02 kPa 323.40 Vapor P...
Psub 0.03 kPa 326.40 Vapor P...
Psub 0.04 kPa 329.40 Vapor P...
Psub 0.05 kPa 332.30 Vapor P...
Psub 0.07 kPa 335.30 Vapor P...
Psub 0.08 kPa 338.20 Vapor P...
Psub 0.11 kPa 341.20 Vapor P...
Psub 0.13 kPa 344.20 Vapor P...
Psub 0.17 kPa 347.20 Vapor P...
Pvap 101.30 kPa 478.95 Investi...
ΔfusS [11.41; 43.78] J/mol×K [315.20; 403.20] Show Hide
ΔfusS 43.78 J/mol×K 315.20 NIST
ΔfusS 11.41 J/mol×K 403.20 NIST
λ [0.29; 0.40] W/m×K [323.00; 393.00] Show Hide
λ 0.40 W/m×K 323.00 Depende...
λ 0.38 W/m×K 333.00 Depende...
λ 0.36 W/m×K 343.00 Depende...
λ 0.33 W/m×K 353.00 Depende...
λ 0.32 W/m×K 363.00 Depende...
λ 0.29 W/m×K 373.00 Depende...
λ 0.30 W/m×K 383.00 Depende...
λ 0.31 W/m×K 393.00 Depende...

Correlations

Property Value Unit Temperature (K) Source
Pvap [2.90; 4249.61] kPa [400.00; 643.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A2.32555e+02
Coefficient B-1.93531e+04
Coefficient C-3.09511e+01
Coefficient D1.45892e-05
Temperature range, min.400.00
Temperature range, max.643.00
Pvap 2.90 kPa 400.00 Calculated Property
Pvap 11.33 kPa 427.00 Calculated Property
Pvap 35.60 kPa 454.00 Calculated Property
Pvap 94.20 kPa 481.00 Calculated Property
Pvap 217.70 kPa 508.00 Calculated Property
Pvap 452.06 kPa 535.00 Calculated Property
Pvap 862.60 kPa 562.00 Calculated Property
Pvap 1540.02 kPa 589.00 Calculated Property
Pvap 2610.10 kPa 616.00 Calculated Property
Pvap 4249.61 kPa 643.00 Calculated Property

Similar Compounds

1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-. Pentaerythritol. 1-Propanol, 2,2-dimethyl-. Hydroxypivalic acid. Dimethylolpropionic acid. 3-Methyl-3-oxetanemethanol. Pentaerythrol monochlorohydrin. Propane-1,3-diol, 2-methyl-. Oxetane, 3,3-bis-(hydroxymethyl). Loprodiol. 1,3-Propanediol, 2,2-bis(bromomethyl)-. 2,2-Dimethyl-3-hydroxypropionaldehyde. 2-Ethyl-2-methyl-1,3-propanediol. 1,3-Propanediol, 2-(hydroxymethyl)-. Dipentaerythritol.

Find more compounds similar to Neopentyl glycol.

Mixtures

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.

Login Register