- InChI
- InChI=1S/C15H10O3/c1-18-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3
- InChI Key
- APLQXUAECQNQFE-UHFFFAOYSA-N
- Formula
- C15H10O3
- SMILES
- COc1ccc2c(c1)C(=O)c1ccccc1C2=O
- Molecular Weight1
- 238.24
- CAS
- 3274-20-2
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | 1.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.48 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 2.471 | Crippen Calculated Property | |
| McVol | 172.840 | ml/mol | McGowan Calculated Property |
| Pc | 2921.84 | kPa | Joback Calculated Property |
| Tboil | 776.10 | K | Joback Calculated Property |
| Tc | 1040.20 | K | Joback Calculated Property |
| Tfus | 533.58 | K | Joback Calculated Property |
| Vc | 0.657 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.07; 542.10] | J/mol×K | [776.10; 1040.20] | 
|
| Cp,gas | 477.07 | J/mol×K | 776.10 | Joback Calculated Property |
| Cp,gas | 491.04 | J/mol×K | 820.12 | Joback Calculated Property |
| Cp,gas | 503.74 | J/mol×K | 864.13 | Joback Calculated Property |
| Cp,gas | 515.19 | J/mol×K | 908.15 | Joback Calculated Property |
| Cp,gas | 525.39 | J/mol×K | 952.17 | Joback Calculated Property |
| Cp,gas | 534.36 | J/mol×K | 996.19 | Joback Calculated Property |
| Cp,gas | 542.10 | J/mol×K | 1040.20 | Joback Calculated Property |
| ΔsubH | 118.40 ± 0.40 | kJ/mol | 419.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Methoxy-9,10-anthraquinone.
Sources
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