- InChI
- InChI=1S/C9H12O/c1-7-3-4-9(6-10)8(2)5-7/h3-5,10H,6H2,1-2H3
- InChI Key
- QUIMJTKRVOBTQN-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- Cc1ccc(CO)c(C)c1
- Molecular Weight1
- 136.19
- CAS
- 16308-92-2
- Other Names
-
- Benzyl alcohol, 2,4-dimethyl-
- 2,4-Dimethylbenzyl alcohol
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -18.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -167.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.91 | kJ/mol | Joback Calculated Property |
| log10WS | -2.57 | Crippen Calculated Property | |
| logPoct/wat | 1.796 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3505.43 | kPa | Joback Calculated Property |
| Inp | [1226.00; 1226.00] |
|
|
| Inp | 1226.00 | NIST | |
| Inp | 1226.00 | NIST | |
| I | [2032.00; 2032.00] |
|
|
| I | 2032.00 | NIST | |
| I | 2032.00 | NIST | |
| Tboil | 505.20 | K | NIST |
| Tc | 731.21 | K | Joback Calculated Property |
| Tfus | 303.47 | K | Joback Calculated Property |
| Vc | 0.451 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.07; 324.37] | J/mol×K | [534.14; 731.21] |
|
| Cp,gas | 266.07 | J/mol×K | 534.14 | Joback Calculated Property |
| Cp,gas | 277.11 | J/mol×K | 566.99 | Joback Calculated Property |
| Cp,gas | 287.59 | J/mol×K | 599.83 | Joback Calculated Property |
| Cp,gas | 297.54 | J/mol×K | 632.68 | Joback Calculated Property |
| Cp,gas | 306.97 | J/mol×K | 665.52 | Joback Calculated Property |
| Cp,gas | 315.91 | J/mol×K | 698.37 | Joback Calculated Property |
| Cp,gas | 324.37 | J/mol×K | 731.21 | Joback Calculated Property |
| η | [0.0001123; 0.0061106] | Pa×s | [303.47; 534.14] |
|
| η | 0.0061106 | Pa×s | 303.47 | Joback Calculated Property |
| η | 0.0021587 | Pa×s | 341.92 | Joback Calculated Property |
| η | 0.0009411 | Pa×s | 380.36 | Joback Calculated Property |
| η | 0.0004778 | Pa×s | 418.81 | Joback Calculated Property |
| η | 0.0002719 | Pa×s | 457.25 | Joback Calculated Property |
| η | 0.0001689 | Pa×s | 495.69 | Joback Calculated Property |
| η | 0.0001123 | Pa×s | 534.14 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 393.20 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to Benzenemethanol, 2,4-dimethyl-.
Sources
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