- InChI
- InChI=1S/C15H24/c1-10-4-5-14-13(10)8-12-6-7-15(14,3)9-11(12)2/h9-10,12-14H,4-8H2,1-3H3
- InChI Key
- XAAMMPKFMNZIIC-UHFFFAOYSA-N
- Formula
- C15H24
- SMILES
- CC1=CC2(C)CCC1CC1C(C)CCC12
- Molecular Weight1
- 204.35
- CAS
- 65128-08-7
- Other Names
-
- Rotundene
- 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° | 220.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -132.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.43 | Crippen Calculated Property | |
| logPoct/wat | 4.415 | Crippen Calculated Property | |
| McVol | 185.330 | ml/mol | McGowan Calculated Property |
| Pc | 2079.33 | kPa | Joback Calculated Property |
| Inp | [1460.00; 1468.00] |
|
|
| Inp | 1460.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Tboil | 570.67 | K | Joback Calculated Property |
| Tc | 795.06 | K | Joback Calculated Property |
| Tfus | 330.77 | K | Joback Calculated Property |
| Vc | 0.705 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [506.52; 631.47] | J/mol×K | [570.67; 795.06] |
|
| Cp,gas | 506.52 | J/mol×K | 570.67 | Joback Calculated Property |
| Cp,gas | 530.69 | J/mol×K | 608.07 | Joback Calculated Property |
| Cp,gas | 553.27 | J/mol×K | 645.47 | Joback Calculated Property |
| Cp,gas | 574.46 | J/mol×K | 682.86 | Joback Calculated Property |
| Cp,gas | 594.42 | J/mol×K | 720.26 | Joback Calculated Property |
| Cp,gas | 613.36 | J/mol×K | 757.66 | Joback Calculated Property |
| Cp,gas | 631.47 | J/mol×K | 795.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4,6-Trimethyl-1,2,3,3a,4,7,8,8a-octahydro-4,7-ethanoazulene.
Sources
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