- InChI
- InChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3
- InChI Key
- KUMMBDBTERQYCG-UHFFFAOYSA-N
- Formula
- C9H12O3
- SMILES
- Cc1cc(CO)c(O)c(CO)c1
- Molecular Weight1
- 168.19
- CAS
- 91-04-3
- Other Names
-
- «alpha»1,«alpha»3-Mesitylenediol, 2-hydroxy-
- «alpha»1,«alpha»3, 2-Trihydroxymesitylene
- 2,6-Bis(hydroxymethyl)-p-cresol
- 2,6-Bis(hydroxymethyl)-4-methylphenol
- 2,6-Di(hydroxymethyl)-p-cresol
- 2,6-Dimethylol-p-cresol
- 2,6-Dimethylol-4-methylphenol
- 2-Hydroxy-5-methyl-1,3-benzenedimethanol
- 4-Methyl-2,6-bis(hydroxymethyl)-phenol
- NSC 15838
- A^1,a^3-mesityllenediol, 2-hydroxy-
- 3,5-bis(hydroxymethyl)-p-cresol
- A
- 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).
- 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 | 0.8465 | Relay (... Calculated Property | |
| ΔfG° | -310.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -469.64 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.37 | kJ/mol | Relay (... Calculated Property |
| IE | 8.19 | eV | Relay (... Calculated Property |
| log10WS | -1.20 | Relay (... Calculated Property | |
| logPoct/wat | 0.685 | Crippen Calculated Property | |
| McVol | 131.520 | ml/mol | McGowan Calculated Property |
| Pc | 4769.39 | kPa | Joback Calculated Property |
| Tboil | 589.78 | K | Relay (... Calculated Property |
| Tc | 845.17 | K | Relay (... Calculated Property |
| Tfus | 384.73 | K | Relay (... Calculated Property |
| Vc | 0.464 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.02; 399.55] | J/mol×K | [706.94; 903.26] | 
|
| Cp,gas | 355.02 | J/mol×K | 706.94 | Joback Calculated Property |
| Cp,gas | 363.26 | J/mol×K | 739.66 | Joback Calculated Property |
| Cp,gas | 371.11 | J/mol×K | 772.38 | Joback Calculated Property |
| Cp,gas | 378.62 | J/mol×K | 805.10 | Joback Calculated Property |
| Cp,gas | 385.83 | J/mol×K | 837.82 | Joback Calculated Property |
| Cp,gas | 392.79 | J/mol×K | 870.54 | Joback Calculated Property |
| Cp,gas | 399.55 | J/mol×K | 903.26 | Joback Calculated Property |
| η | [0.0000015; 0.0001866] | Pa×s | [476.01; 706.94] |
|
| η | 0.0001866 | Pa×s | 476.01 | Joback Calculated Property |
| η | 0.0000617 | Pa×s | 514.50 | Joback Calculated Property |
| η | 0.0000238 | Pa×s | 552.99 | Joback Calculated Property |
| η | 0.0000104 | Pa×s | 591.48 | Joback Calculated Property |
| η | 0.0000050 | Pa×s | 629.96 | Joback Calculated Property |
| η | 0.0000026 | Pa×s | 668.45 | Joback Calculated Property |
| η | 0.0000015 | Pa×s | 706.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Benzenedimethanol, 2-hydroxy-5-methyl-.
Sources
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