- InChI
- InChI=1S/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3
- InChI Key
- AGIQIOSHSMJYJP-UHFFFAOYSA-N
- Formula
- C9H12O3
- SMILES
- COc1ccc(OC)c(OC)c1
- Molecular Weight1
- 168.19
- CAS
- 135-77-3
- Other Names
-
- Benzene, 1,2,4-trimethoxy-
- 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.
- I : 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° | -196.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.46 | kJ/mol | Joback Calculated Property |
| IE | [7.49; 7.50] | eV |
|
| IE | 7.49 | eV | NIST |
| IE | 7.50 ± 0.15 | eV | NIST |
| log10WS | -1.83 | Crippen Calculated Property | |
| logPoct/wat | 1.712 | Crippen Calculated Property | |
| McVol | 131.520 | ml/mol | McGowan Calculated Property |
| Pc | 2979.54 | kPa | Joback Calculated Property |
| Inp | [1331.30; 1377.80] |
|
|
| Inp | 1331.30 | NIST | |
| Inp | 1377.80 | NIST | |
| Inp | 1374.00 | NIST | |
| I | [2094.00; 2133.00] |
|
|
| I | 2094.00 | NIST | |
| I | 2133.00 | NIST | |
| I | 2095.00 | NIST | |
| Tboil | 520.20 | K | NIST |
| Tc | 714.26 | K | Joback Calculated Property |
| Tfus | 309.34 | K | Joback Calculated Property |
| Vc | 0.485 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.91; 353.50] | J/mol×K | [509.22; 714.26] |
|
| Cp,gas | 285.91 | J/mol×K | 509.22 | Joback Calculated Property |
| Cp,gas | 298.31 | J/mol×K | 543.39 | Joback Calculated Property |
| Cp,gas | 310.28 | J/mol×K | 577.57 | Joback Calculated Property |
| Cp,gas | 321.81 | J/mol×K | 611.74 | Joback Calculated Property |
| Cp,gas | 332.87 | J/mol×K | 645.92 | Joback Calculated Property |
| Cp,gas | 343.44 | J/mol×K | 680.09 | Joback Calculated Property |
| Cp,gas | 353.50 | J/mol×K | 714.26 | Joback Calculated Property |
| η | [0.0001358; 0.0008604] | Pa×s | [309.34; 509.22] |
|
| η | 0.0008604 | Pa×s | 309.34 | Joback Calculated Property |
| η | 0.0005446 | Pa×s | 342.65 | Joback Calculated Property |
| η | 0.0003738 | Pa×s | 375.97 | Joback Calculated Property |
| η | 0.0002728 | Pa×s | 409.28 | Joback Calculated Property |
| η | 0.0002088 | Pa×s | 442.59 | Joback Calculated Property |
| η | 0.0001658 | Pa×s | 475.91 | Joback Calculated Property |
| η | 0.0001358 | Pa×s | 509.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4-Trimethoxybenzene.
Sources
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