- InChI
- InChI=1S/C9H12O2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,10-11H,6H2,1H3
- InChI Key
- OZHROFCXIMHHRO-UHFFFAOYSA-N
- Formula
- C9H12O2
- SMILES
- CC(O)c1ccc(CO)cc1
- Molecular Weight1
- 152.19
- CAS
- 80463-22-5
- Other Names
-
- «alpha»-Methyl-1,4-benzenedimethanol
- 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.
- 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° | -148.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.54 | kJ/mol | Joback Calculated Property |
| log10WS | -2.14 | Crippen Calculated Property | |
| logPoct/wat | 1.232 | Crippen Calculated Property | |
| McVol | 125.650 | ml/mol | McGowan Calculated Property |
| Pc | 4036.37 | kPa | Joback Calculated Property |
| Inp | [1411.00; 1422.00] |
|
|
| Inp | 1422.00 | NIST | |
| Inp | 1411.00 | NIST | |
| Inp | 1422.00 | NIST | |
| Tboil | 620.90 | K | Joback Calculated Property |
| Tc | 809.67 | K | Joback Calculated Property |
| Tfus | 336.77 | K | Joback Calculated Property |
| Vc | 0.464 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.44; 364.67] | J/mol×K | [620.90; 809.67] |
|
| Cp,gas | 314.44 | J/mol×K | 620.90 | Joback Calculated Property |
| Cp,gas | 324.06 | J/mol×K | 652.36 | Joback Calculated Property |
| Cp,gas | 333.16 | J/mol×K | 683.82 | Joback Calculated Property |
| Cp,gas | 341.75 | J/mol×K | 715.29 | Joback Calculated Property |
| Cp,gas | 349.85 | J/mol×K | 746.75 | Joback Calculated Property |
| Cp,gas | 357.48 | J/mol×K | 778.21 | Joback Calculated Property |
| Cp,gas | 364.67 | J/mol×K | 809.67 | Joback Calculated Property |
| η | [0.0000257; 0.0136219] | Pa×s | [336.77; 620.90] |
|
| η | 0.0136219 | Pa×s | 336.77 | Joback Calculated Property |
| η | 0.0025131 | Pa×s | 384.12 | Joback Calculated Property |
| η | 0.0006719 | Pa×s | 431.48 | Joback Calculated Property |
| η | 0.0002332 | Pa×s | 478.84 | Joback Calculated Property |
| η | 0.0000979 | Pa×s | 526.19 | Joback Calculated Property |
| η | 0.0000474 | Pa×s | 573.54 | Joback Calculated Property |
| η | 0.0000257 | Pa×s | 620.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Benzenedimethanol, «alpha»-methyl-.
Sources
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