- InChI
- InChI=1S/C13H22O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10-11,14H,5-6,8H2,1-4H3
- InChI Key
- AVMRWEITZUAUJV-UHFFFAOYSA-N
- Formula
- C13H22O2
- SMILES
- CC1=CC(O)CC(C)(C)C12CCC(C)O2
- Molecular Weight1
- 210.31
- 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° | -97.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.27 | kJ/mol | Joback Calculated Property |
| log10WS | -3.35 | Crippen Calculated Property | |
| logPoct/wat | 2.661 | Crippen Calculated Property | |
| McVol | 179.750 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Inp | [1378.00; 1424.00] |
|
|
| Inp | 1378.00 | NIST | |
| Inp | 1389.00 | NIST | |
| Inp | 1397.00 | NIST | |
| Inp | 1424.00 | NIST | |
| Tboil | 641.81 | K | Joback Calculated Property |
| Tc | 854.83 | K | Joback Calculated Property |
| Tfus | 398.06 | K | Joback Calculated Property |
| Vc | 0.665 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.06; 619.44] | J/mol×K | [641.81; 854.83] |
|
| Cp,gas | 520.06 | J/mol×K | 641.81 | Joback Calculated Property |
| Cp,gas | 537.98 | J/mol×K | 677.31 | Joback Calculated Property |
| Cp,gas | 555.09 | J/mol×K | 712.82 | Joback Calculated Property |
| Cp,gas | 571.59 | J/mol×K | 748.32 | Joback Calculated Property |
| Cp,gas | 587.68 | J/mol×K | 783.82 | Joback Calculated Property |
| Cp,gas | 603.57 | J/mol×K | 819.32 | Joback Calculated Property |
| Cp,gas | 619.44 | J/mol×K | 854.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8-Hydroxytheaspirane.
Sources
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