- InChI
- InChI=1S/C13H16O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-9,14H,1-3H3
- InChI Key
- ICIIMFRGWJJFIH-UHFFFAOYSA-N
- Formula
- C13H16O2
- SMILES
- CC(O)c1ccc2c(c1)C=CC(C)(C)O2
- Molecular Weight1
- 204.26
- 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).
- I : 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° | -0.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -247.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.16 | kJ/mol | Joback Calculated Property |
| log10WS | -3.78 | Crippen Calculated Property | |
| logPoct/wat | 2.924 | Crippen Calculated Property | |
| McVol | 166.850 | ml/mol | McGowan Calculated Property |
| Pc | 2960.12 | kPa | Joback Calculated Property |
| I | [2383.00; 2383.00] |
|
|
| I | 2383.00 | NIST | |
| I | 2383.00 | NIST | |
| Tboil | 662.58 | K | Joback Calculated Property |
| Tc | 879.45 | K | Joback Calculated Property |
| Tfus | 399.20 | K | Joback Calculated Property |
| Vc | 0.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.11; 522.28] | J/mol×K | [662.58; 879.45] |
|
| Cp,gas | 448.11 | J/mol×K | 662.58 | Joback Calculated Property |
| Cp,gas | 461.73 | J/mol×K | 698.72 | Joback Calculated Property |
| Cp,gas | 474.66 | J/mol×K | 734.87 | Joback Calculated Property |
| Cp,gas | 487.04 | J/mol×K | 771.01 | Joback Calculated Property |
| Cp,gas | 499.01 | J/mol×K | 807.16 | Joback Calculated Property |
| Cp,gas | 510.71 | J/mol×K | 843.30 | Joback Calculated Property |
| Cp,gas | 522.28 | J/mol×K | 879.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-(1'-Hydroxyethyl)-2,2-dimethylchromene.
Sources
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