- InChI
- InChI=1S/C16H26O/c1-10-8-13(17-5)14-12(10)9-11-6-7-16(14,4)15(11,2)3/h10-11,13H,6-9H2,1-5H3/t10-,11-,13-,16+/m1/s1
- InChI Key
- QZULVJXPAUVVFC-MSIPSHCFSA-N
- Formula
- C16H26O
- SMILES
-
COC1CC(C)C2=C1C1(C)CCC(C2)C1(C
)C - Molecular Weight1
- 234.38
- 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° | 121.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.40 | kJ/mol | Joback Calculated Property |
| log10WS | -4.29 | Crippen Calculated Property | |
| logPoct/wat | 4.184 | Crippen Calculated Property | |
| McVol | 205.290 | ml/mol | McGowan Calculated Property |
| Pc | 1888.72 | kPa | Joback Calculated Property |
| Inp | [1541.00; 1541.00] |
|
|
| Inp | 1541.00 | NIST | |
| Inp | 1541.00 | NIST | |
| I | [1779.00; 1779.00] |
|
|
| I | 1779.00 | NIST | |
| I | 1779.00 | NIST | |
| Tboil | 616.92 | K | Joback Calculated Property |
| Tc | 836.49 | K | Joback Calculated Property |
| Tfus | 404.21 | K | Joback Calculated Property |
| Vc | 0.784 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [586.89; 707.47] | J/mol×K | [616.92; 836.49] |
|
| Cp,gas | 586.89 | J/mol×K | 616.92 | Joback Calculated Property |
| Cp,gas | 609.04 | J/mol×K | 653.52 | Joback Calculated Property |
| Cp,gas | 630.03 | J/mol×K | 690.11 | Joback Calculated Property |
| Cp,gas | 650.12 | J/mol×K | 726.71 | Joback Calculated Property |
| Cp,gas | 669.55 | J/mol×K | 763.30 | Joback Calculated Property |
| Cp,gas | 688.59 | J/mol×K | 799.90 | Joback Calculated Property |
| Cp,gas | 707.47 | J/mol×K | 836.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to endo-5-Methoxy-«beta»-patchoulene.
Sources
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