- InChI
- InChI=1S/C16H16O3/c1-16(18)14-6-4-3-5-11(14)13-9-10(19-2)7-8-12(13)15(16)17/h3-9,15,17-18H,1-2H3/t15-,16+/m1/s1
- InChI Key
- ISRUVUJGAGZJCM-CVEARBPZSA-N
- Formula
- C16H16O3
- SMILES
-
COc1ccc2c(c1)-c1ccccc1C(C)(O)C
2O - Molecular Weight1
- 256.30
- 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° | -39.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -297.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.80 | kJ/mol | Joback Calculated Property |
| log10WS | -4.43 | Crippen Calculated Property | |
| logPoct/wat | 2.617 | Crippen Calculated Property | |
| McVol | 195.530 | ml/mol | McGowan Calculated Property |
| Pc | 2912.39 | kPa | Joback Calculated Property |
| Inp | 2350.00 | NIST | |
| Tboil | 838.60 | K | Joback Calculated Property |
| Tc | 1053.42 | K | Joback Calculated Property |
| Tfus | 545.47 | K | Joback Calculated Property |
| Vc | 0.734 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [588.06; 666.86] | J/mol×K | [838.60; 1053.42] | 
|
| Cp,gas | 588.06 | J/mol×K | 838.60 | Joback Calculated Property |
| Cp,gas | 600.97 | J/mol×K | 874.40 | Joback Calculated Property |
| Cp,gas | 613.78 | J/mol×K | 910.21 | Joback Calculated Property |
| Cp,gas | 626.63 | J/mol×K | 946.01 | Joback Calculated Property |
| Cp,gas | 639.66 | J/mol×K | 981.82 | Joback Calculated Property |
| Cp,gas | 653.03 | J/mol×K | 1017.62 | Joback Calculated Property |
| Cp,gas | 666.86 | J/mol×K | 1053.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3-methoxy.
Sources
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