- InChI
- InChI=1S/C14H20O/c1-10(2)11-8-9-14(3,15)13-7-5-4-6-12(11)13/h4-7,10-11,15H,8-9H2,1-3H3/t11-,14-/m1/s1
- InChI Key
- AHVLIYTXCGGTNY-BXUZGUMPSA-N
- Formula
- C14H20O
- SMILES
- CC(C)C1CCC(C)(O)c2ccccc21
- Molecular Weight1
- 204.31
- 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.
- 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° | 65.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -203.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.80 | Crippen Calculated Property | |
| logPoct/wat | 3.427 | Crippen Calculated Property | |
| McVol | 179.370 | ml/mol | McGowan Calculated Property |
| Pc | 2553.34 | kPa | Joback Calculated Property |
| Inp | [1649.00; 1652.00] |
|
|
| Inp | 1649.00 | NIST | |
| Inp | 1652.00 | NIST | |
| I | 2360.00 | NIST | |
| Tboil | 649.70 | K | Joback Calculated Property |
| Tc | 862.41 | K | Joback Calculated Property |
| Tfus | 366.38 | K | Joback Calculated Property |
| Vc | 0.670 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [494.67; 583.22] | J/mol×K | [649.70; 862.41] |
|
| Cp,gas | 494.67 | J/mol×K | 649.70 | Joback Calculated Property |
| Cp,gas | 511.18 | J/mol×K | 685.15 | Joback Calculated Property |
| Cp,gas | 526.80 | J/mol×K | 720.60 | Joback Calculated Property |
| Cp,gas | 541.69 | J/mol×K | 756.06 | Joback Calculated Property |
| Cp,gas | 555.96 | J/mol×K | 791.51 | Joback Calculated Property |
| Cp,gas | 569.76 | J/mol×K | 826.96 | Joback Calculated Property |
| Cp,gas | 583.22 | J/mol×K | 862.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10«beta»-Hydroxycalamenene.
Sources
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