- InChI
- InChI=1S/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H3
- InChI Key
- OKGZCXPDJKKZAP-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- Cc1ccc(CO)cc1C
- Molecular Weight1
- 136.19
- Other Names
-
- Benzenemethanol, 3,4-dimethyl-
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.6248 | Relay (1.0) Calculated Property | |
| ΔfG° | -18.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -179.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.71 | Relay (1.0) 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 | [1113.00; 1113.00] |
|
|
| Inp | 1113.00 | NIST | |
| Inp | 1113.00 | NIST | |
| Tboil | 492.70 | K | NIST |
| Tc | 748.41 | K | Relay (1.0) Calculated Property |
| Tfus | 337.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.75; 377.71] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.30900e+00 | |||
| Coefficient B | 6.94940e-01 | |||
| Coefficient C | -3.93320e-04 | |||
| Coefficient D | 8.14000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 156.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 229.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 259.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 286.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 310.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 330.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 348.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 364.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 377.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024244; 0.0001409] | Pa×s | [337.15; 512.04] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.43519e+01 | |||
| Coefficient B | 2.80837e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 337.15 | |||
| Temperature range, max. | 512.04 | |||
| η | 0.0024244 | Pa×s | 337.15 | Calculated Property |
| η | 0.0015398 | Pa×s | 356.58 | Calculated Property |
| η | 0.0010249 | Pa×s | 376.01 | Calculated Property |
| η | 0.0007101 | Pa×s | 395.45 | Calculated Property |
| η | 0.0005091 | Pa×s | 414.88 | Calculated Property |
| η | 0.0003761 | Pa×s | 434.31 | Calculated Property |
| η | 0.0002851 | Pa×s | 453.74 | Calculated Property |
| η | 0.0002211 | Pa×s | 473.17 | Calculated Property |
| η | 0.0001750 | Pa×s | 492.61 | Calculated Property |
| η | 0.0001409 | Pa×s | 512.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-DIMETHYLBENZYL ALCOHOL.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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