- InChI
- InChI=1S/C10H12O3/c1-6-4-9(11)8(5-13-3)7(2)10(6)12/h4H,5H2,1-3H3
- InChI Key
- REYIEWLSGQOMMT-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- COCC1=C(C)C(=O)C(C)=CC1=O
- Molecular Weight1
- 180.20
- Other Names
-
- 2,6-Dimethyl-3-(methoxymethyl)-benzoquinone
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- 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 | 0.4585 | Relay (... Calculated Property | |
| ΔfG° | -253.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.80 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.49 | kJ/mol | Relay (... Calculated Property |
| IE | 9.34 | eV | Relay (... Calculated Property |
| log10WS | -1.16 | Relay (... Calculated Property | |
| logPoct/wat | 1.047 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Inp | [1516.00; 1573.00] |
|
|
| Inp | 1573.00 | NIST | |
| Inp | 1516.00 | NIST | |
| Tboil | 531.27 | K | Relay (... Calculated Property |
| Tc | 746.43 | K | Relay (... Calculated Property |
| Tfus | 331.77 | K | Relay (... Calculated Property |
| Vc | 0.485 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.99; 429.25] | J/mol×K | [623.74; 855.80] |
|
| Cp,gas | 352.99 | J/mol×K | 623.74 | Joback Calculated Property |
| Cp,gas | 367.66 | J/mol×K | 662.42 | Joback Calculated Property |
| Cp,gas | 381.64 | J/mol×K | 701.09 | Joback Calculated Property |
| Cp,gas | 394.86 | J/mol×K | 739.77 | Joback Calculated Property |
| Cp,gas | 407.25 | J/mol×K | 778.45 | Joback Calculated Property |
| Cp,gas | 418.74 | J/mol×K | 817.13 | Joback Calculated Property |
| Cp,gas | 429.25 | J/mol×K | 855.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dimethyl-3-methoxymethyl-p-benzoquinone.
Sources
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