- InChI
- InChI=1S/C17H18O4/c1-17(19)12-7-5-4-6-10(12)14-11(16(17)18)8-9-13(20-2)15(14)21-3/h4-9,16,18-19H,1-3H3/t16-,17+/m1/s1
- InChI Key
- SEDCUXLTUOHWJO-SJORKVTESA-N
- Formula
- C17H18O4
- SMILES
-
COc1ccc2c(c1OC)-c1ccccc1C(C)(O
)C2O - Molecular Weight1
- 286.32
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -145.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -462.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 2.625 | Crippen Calculated Property | |
| McVol | 215.490 | ml/mol | McGowan Calculated Property |
| Pc | 2548.19 | kPa | Joback Calculated Property |
| Inp | 2460.00 | NIST | |
| Tboil | 888.88 | K | Joback Calculated Property |
| Tc | 1103.71 | K | Joback Calculated Property |
| Tfus | 591.49 | K | Joback Calculated Property |
| Vc | 0.807 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [670.51; 755.16] | J/mol×K | [888.88; 1103.71] | 
|
| Cp,gas | 670.51 | J/mol×K | 888.88 | Joback Calculated Property |
| Cp,gas | 684.37 | J/mol×K | 924.68 | Joback Calculated Property |
| Cp,gas | 698.16 | J/mol×K | 960.49 | Joback Calculated Property |
| Cp,gas | 712.01 | J/mol×K | 996.29 | Joback Calculated Property |
| Cp,gas | 726.04 | J/mol×K | 1032.10 | Joback Calculated Property |
| Cp,gas | 740.39 | J/mol×K | 1067.90 | Joback Calculated Property |
| Cp,gas | 755.16 | J/mol×K | 1103.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3,4-dimethoxy.
Sources
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