- InChI
- InChI=1S/C16H26O/c1-12-6-5-8-16(3)9-7-14(10-15(12)16)13(2)11-17-4/h7,13,15H,1,5-6,8-11H2,2-4H3/t13?,15?,16-/m1/s1
- InChI Key
- JGJVWKKEHVYBGK-AVVWSFFYSA-N
- Formula
- C16H26O
- SMILES
- C=C1CCCC2(C)CC=C(C(C)COC)CC12
- 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° | 117.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.71 | kJ/mol | Joback Calculated Property |
| log10WS | -4.38 | Crippen Calculated Property | |
| logPoct/wat | 4.352 | Crippen Calculated Property | |
| McVol | 211.850 | ml/mol | McGowan Calculated Property |
| Pc | 1861.11 | kPa | Joback Calculated Property |
| Inp | [1645.00; 1645.00] |
|
|
| Inp | 1645.00 | NIST | |
| Inp | 1645.00 | NIST | |
| I | [2000.00; 2000.00] |
|
|
| I | 2000.00 | NIST | |
| I | 2000.00 | NIST | |
| Tboil | 621.56 | K | Joback Calculated Property |
| Tc | 837.74 | K | Joback Calculated Property |
| Tfus | 349.97 | K | Joback Calculated Property |
| Vc | 0.793 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [582.66; 699.11] | J/mol×K | [621.56; 837.74] |
|
| Cp,gas | 582.66 | J/mol×K | 621.56 | Joback Calculated Property |
| Cp,gas | 604.66 | J/mol×K | 657.59 | Joback Calculated Property |
| Cp,gas | 625.45 | J/mol×K | 693.62 | Joback Calculated Property |
| Cp,gas | 645.17 | J/mol×K | 729.65 | Joback Calculated Property |
| Cp,gas | 663.93 | J/mol×K | 765.68 | Joback Calculated Property |
| Cp,gas | 681.87 | J/mol×K | 801.71 | Joback Calculated Property |
| Cp,gas | 699.11 | J/mol×K | 837.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 11-epi-Eudesma-4(15),7-dien-12-yl methyl ether.
Sources
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