- InChI
- InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
- InChI Key
- JCTXKRPTIMZBJT-UHFFFAOYSA-N
- Formula
- C8H18O2
- SMILES
- CC(C)C(O)C(C)(C)CO
- Molecular Weight1
- 146.23
- CAS
- 144-19-4
- Other Names
-
- 1,3-Dihydroxy-2,2,4-trimethyl pentane
- 2,2,4-Trimethyl pentanediol-1,3
- 2,2,4-Trimethyl-1,3-pentanediol
- 2,2,4-trimethylpentane-1,3-diol
- TMPD
- TMPD Glycol
- Cp,gas : Ideal gas 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).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (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 |
|---|---|---|---|
| ΔfG° | -259.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -532.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.69 | kJ/mol | Joback Calculated Property |
| log10WS | -1.33 | Crippen Calculated Property | |
| logPoct/wat | 1.022 | Crippen Calculated Property | |
| McVol | 135.320 | ml/mol | McGowan Calculated Property |
| Pc | 3202.78 | kPa | Joback Calculated Property |
| Inp | 1156.60 | NIST | |
| I | [1980.00; 1980.00] |
|
|
| I | 1980.00 | NIST | |
| I | 1980.00 | NIST | |
| Tboil | 505.20 | K | NIST |
| Tc | 732.07 | K | Joback Calculated Property |
| Tfus | 323.15 ± 3.00 | K | NIST |
| Vc | 0.498 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.04; 407.98] | J/mol×K | [562.69; 732.07] |
|
| Cp,gas | 349.04 | J/mol×K | 562.69 | Joback Calculated Property |
| Cp,gas | 360.14 | J/mol×K | 590.92 | Joback Calculated Property |
| Cp,gas | 370.70 | J/mol×K | 619.15 | Joback Calculated Property |
| Cp,gas | 380.75 | J/mol×K | 647.38 | Joback Calculated Property |
| Cp,gas | 390.29 | J/mol×K | 675.61 | Joback Calculated Property |
| Cp,gas | 399.36 | J/mol×K | 703.84 | Joback Calculated Property |
| Cp,gas | 407.98 | J/mol×K | 732.07 | Joback Calculated Property |
| η | [0.0000387; 0.3212126] | Pa×s | [273.98; 562.69] |
|
| η | 0.3212126 | Pa×s | 273.98 | Joback Calculated Property |
| η | 0.0232070 | Pa×s | 322.10 | Joback Calculated Property |
| η | 0.0033196 | Pa×s | 370.22 | Joback Calculated Property |
| η | 0.0007427 | Pa×s | 418.33 | Joback Calculated Property |
| η | 0.0002263 | Pa×s | 466.45 | Joback Calculated Property |
| η | 0.0000861 | Pa×s | 514.57 | Joback Calculated Property |
| η | 0.0000387 | Pa×s | 562.69 | Joback Calculated Property |
| ΔfusH | 24.20 | kJ/mol | 328.30 | NIST |
| ΔvapH | [55.00; 66.60] | kJ/mol | [442.50; 457.50] |
|
| ΔvapH | 66.60 ± 2.10 | kJ/mol | 442.50 | NIST |
| ΔvapH | 60.30 ± 1.70 | kJ/mol | 442.50 | NIST |
| ΔvapH | 55.00 ± 1.60 | kJ/mol | 442.50 | NIST |
| ΔvapH | 58.50 | kJ/mol | 457.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [391.16; 531.74] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63742e+01 | |||
| Coefficient B | -4.97984e+03 | |||
| Coefficient C | -8.15960e+01 | |||
| Temperature range, min. | 391.16 | |||
| Temperature range, max. | 531.74 | |||
| Pvap | 1.33 | kPa | 391.16 | Calculated Property |
| Pvap | 2.89 | kPa | 406.78 | Calculated Property |
| Pvap | 5.83 | kPa | 422.40 | Calculated Property |
| Pvap | 11.05 | kPa | 438.02 | Calculated Property |
| Pvap | 19.87 | kPa | 453.64 | Calculated Property |
| Pvap | 34.07 | kPa | 469.26 | Calculated Property |
| Pvap | 56.04 | kPa | 484.88 | Calculated Property |
| Pvap | 88.80 | kPa | 500.50 | Calculated Property |
| Pvap | 136.15 | kPa | 516.12 | Calculated Property |
| Pvap | 202.64 | kPa | 531.74 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Pentanediol, 2,2,4-trimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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