- InChI
- InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3
- InChI Key
- AUFZRCJENRSRLY-UHFFFAOYSA-N
- Formula
- C9H12O2
- SMILES
- Cc1cc(O)c(C)c(C)c1O
- Molecular Weight1
- 152.19
- CAS
- 700-13-0
- Other Names
-
- «psi»-Cumohydroquinone
- Hydroquinone, trimethyl-
- Pseudocumohydroquinone
- 2,3,5-Trimethyl-1,4-benzenediol
- Trimethylhydroquinone
- 2,3,5-Trimethylhydroquinone
- psi-Cumohydroquinone
- 2,3,6-Trimethylhydroquinone
- NSC 401617
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.6343 | Relay (... Calculated Property | |
| ΔfG° | -191.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -345.90 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.21 | kJ/mol | Relay (... Calculated Property |
| IE | 7.89 | eV | Relay (... Calculated Property |
| log10WS | -1.37 | Relay (... Calculated Property | |
| logPoct/wat | 2.023 | Crippen Calculated Property | |
| McVol | 125.650 | ml/mol | McGowan Calculated Property |
| Pc | 4546.92 | kPa | Joback Calculated Property |
| Tboil | 525.70 | K | Relay (... Calculated Property |
| Tc | 782.06 | K | Relay (... Calculated Property |
| Tfus | 443.15 ± 0.70 | K | NIST |
| Vc | 0.444 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.30; 368.59] | J/mol×K | [603.20; 838.77] | 
|
| Cp,gas | 312.30 | J/mol×K | 603.20 | Joback Calculated Property |
| Cp,gas | 323.00 | J/mol×K | 642.46 | Joback Calculated Property |
| Cp,gas | 333.01 | J/mol×K | 681.72 | Joback Calculated Property |
| Cp,gas | 342.46 | J/mol×K | 720.98 | Joback Calculated Property |
| Cp,gas | 351.45 | J/mol×K | 760.25 | Joback Calculated Property |
| Cp,gas | 360.12 | J/mol×K | 799.51 | Joback Calculated Property |
| Cp,gas | 368.59 | J/mol×K | 838.77 | Joback Calculated Property |
| Cp,liquid | 217.60 | J/mol×K | 313.65 | NIST |
| η | [0.0000063; 0.0001252] | Pa×s | [466.09; 603.20] |
|
| η | 0.0001252 | Pa×s | 466.09 | Joback Calculated Property |
| η | 0.0000678 | Pa×s | 488.94 | Joback Calculated Property |
| η | 0.0000388 | Pa×s | 511.79 | Joback Calculated Property |
| η | 0.0000233 | Pa×s | 534.64 | Joback Calculated Property |
| η | 0.0000146 | Pa×s | 557.50 | Joback Calculated Property |
| η | 0.0000095 | Pa×s | 580.35 | Joback Calculated Property |
| η | 0.0000063 | Pa×s | 603.20 | Joback Calculated Property |
| ΔvapH | 45.50 ± 0.30 | kJ/mol | 475.50 | NIST |
Similar Compounds
Find more compounds similar to 1,4-Benzenediol, 2,3,5-trimethyl-.
Sources
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