- InChI
- InChI=1S/C13H20O/c1-9-7-8-13(3,4)11-6-5-10(2)14-12(9)11/h6-7,10,12H,5,8H2,1-4H3
- InChI Key
- QSNSTTXTTHZOKR-UHFFFAOYSA-N
- Formula
- C13H20O
- SMILES
- CC1=CCC(C)(C)C2=CCC(C)OC12
- Molecular Weight1
- 192.30
- 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.
- 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° | 73.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -235.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.00 | kJ/mol | Joback Calculated Property |
| log10WS | -3.83 | Crippen Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 169.580 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Inp | [1279.00; 1296.00] |
|
|
| Inp | 1279.00 | NIST | |
| Inp | 1296.00 | NIST | |
| Inp | 1279.00 | NIST | |
| I | 1484.00 | NIST | |
| Tboil | 558.20 | K | Joback Calculated Property |
| Tc | 783.25 | K | Joback Calculated Property |
| Tfus | 330.86 | K | Joback Calculated Property |
| Vc | 0.635 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [433.56; 539.34] | J/mol×K | [558.20; 783.25] |
|
| Cp,gas | 433.56 | J/mol×K | 558.20 | Joback Calculated Property |
| Cp,gas | 453.90 | J/mol×K | 595.71 | Joback Calculated Property |
| Cp,gas | 472.97 | J/mol×K | 633.22 | Joback Calculated Property |
| Cp,gas | 490.91 | J/mol×K | 670.73 | Joback Calculated Property |
| Cp,gas | 507.85 | J/mol×K | 708.23 | Joback Calculated Property |
| Cp,gas | 523.95 | J/mol×K | 745.74 | Joback Calculated Property |
| Cp,gas | 539.34 | J/mol×K | 783.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-1-Benzopyran, 3,5,6,8a-tetrahydro-2,5,5,8a-tetramethyl.
Sources
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