- 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
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Psub : Sublimation pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- λ : Solid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -3131.30 ± 4.30 | kJ/mol | NIST |
| ΔfG° | -279.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -459.74 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -551.00 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 12.24 | kJ/mol | Heat ca... |
| ΔvapH° | 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 |
|
| 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 |
|
| 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 |
|
| 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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 220 230 240 250 260 500 550 600 650 | ||||
| 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] |
|
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 0.05 0.1 0.15 0.2 300 400 500 | ||||
| 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] |
|
|
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 4 6 8 10 12 14 250 300 350 400 | ||||
| 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] |
|
|
T(K) Sublimation pressure (kPa) 0 0.05 0.1 0.15 320 330 340 | ||||
| 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] |
|
| 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] |
|
|
T(K) Solid thermal conductivity (W/m×K) 0.28 0.3 0.32 0.34 0.36 0.38 0.4 340 360 380 | ||||
| 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...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.32555e+02 | |||
| Coefficient B | -1.93531e+04 | |||
| Coefficient C | -3.09511e+01 | |||
| Coefficient D | 1.45892e-05 | |||
| Temperature range, min. | 400.00 | |||
| Temperature range, max. | 643.00 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 400 500 600 | ||||
| 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
Find more compounds similar to Neopentyl glycol.
Mixtures
- Neopentyl glycol + (+)-2-Bornanone
- 1,2-Ethanediol + Neopentyl glycol
- p-Xylene + Neopentyl glycol
- Neopentyl glycol + Water
- Carbon dioxide + Neopentyl glycol
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Vapor-liquid critical point measurements of fifteen compounds by the pulse-heating method
- Heat capacity measurement of organic thermal energy storage materials
- Dependency of thermal conductivity on the temperature and composition of d-camphor in the neopentylglycol d-camphor alloys
- Phase transition of neopentyl glycol in nanopores for thermal energy storage
- Investigation on Thermodynamics in Separation for Ethylene Glycol + Neopentyl Glycol System by Azeotropic Distillation
- Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols
- Partial Molar Isentropic Compressions and Partial Molar Volumes of Selected Branched Aliphatic Alcohols at Infinite Dilution in Water at Temperatures from T = (278 to 318) K and Atmospheric Pressure
- Phase Behavior of 2,2-Dimethyl-1,3-propanediol in Carbon Dioxide Kyung-Kyu
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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.