- InChI
- InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
- InChI Key
- DPZNOMCNRMUKPS-UHFFFAOYSA-N
- Formula
- C8H10O2
- SMILES
- COc1cccc(OC)c1
- Molecular Weight1
- 138.16
- CAS
- 151-10-0
- Other Names
-
- Benzene, 1,3-dimethoxy-
- 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).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -90.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -247.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.50 ± 1.40 | kJ/mol | NIST |
| IE | [8.00; 8.20] | eV |
|
| IE | 8.20 ± 0.10 | eV | NIST |
| IE | 8.00 ± 0.15 | eV | NIST |
| IE | 8.14 | eV | NIST |
| IE | 8.18 | eV | NIST |
| log10WS | -1.71 | Crippen Calculated Property | |
| logPoct/wat | 1.704 | Crippen Calculated Property | |
| McVol | 111.560 | ml/mol | McGowan Calculated Property |
| Pc | 3443.98 | kPa | Joback Calculated Property |
| Inp | [1138.80; 1182.00] |
|
|
| Inp | 1147.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1138.80 | NIST | |
| Inp | 1181.90 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1182.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1138.80 | NIST | |
| I | [1709.00; 1762.00] |
|
|
| I | 1730.00 | NIST | |
| I | 1761.00 | NIST | |
| I | 1740.00 | NIST | |
| I | 1709.00 | NIST | |
| I | 1762.00 | NIST | |
| I | 1737.00 | NIST | |
| I | 1730.00 | NIST | |
| Tboil | [490.25; 490.70] | K |
|
| Tboil | 490.70 | K | NIST |
| Tboil | 490.25 ± 1.00 | K | NIST |
| Tc | 667.35 | K | Joback Calculated Property |
| Tfus | 237.85 ± 0.30 | K | NIST |
| Vc | 0.411 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.28; 284.22] | J/mol×K | [458.94; 667.35] |
|
| Cp,gas | 221.28 | J/mol×K | 458.94 | Joback Calculated Property |
| Cp,gas | 232.94 | J/mol×K | 493.67 | Joback Calculated Property |
| Cp,gas | 244.14 | J/mol×K | 528.41 | Joback Calculated Property |
| Cp,gas | 254.88 | J/mol×K | 563.14 | Joback Calculated Property |
| Cp,gas | 265.14 | J/mol×K | 597.88 | Joback Calculated Property |
| Cp,gas | 274.92 | J/mol×K | 632.61 | Joback Calculated Property |
| Cp,gas | 284.22 | J/mol×K | 667.35 | Joback Calculated Property |
| η | [0.0001740; 0.0014041] | Pa×s | [263.32; 458.94] |
|
| η | 0.0014041 | Pa×s | 263.32 | Joback Calculated Property |
| η | 0.0008184 | Pa×s | 295.92 | Joback Calculated Property |
| η | 0.0005310 | Pa×s | 328.53 | Joback Calculated Property |
| η | 0.0003725 | Pa×s | 361.13 | Joback Calculated Property |
| η | 0.0002771 | Pa×s | 393.73 | Joback Calculated Property |
| η | 0.0002157 | Pa×s | 426.34 | Joback Calculated Property |
| η | 0.0001740 | Pa×s | 458.94 | Joback Calculated Property |
| ΔvapH | 60.80 | kJ/mol | 390.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 359.20 | K | 0.90 | NIST |
Similar Compounds
Find more compounds similar to 1,3-dimethoxybenzene.
Sources
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