- InChI
- InChI=1S/C16H26O/c1-11-5-6-14-12(2)15(3,10-17-4)13-7-8-16(11,14)9-13/h11,13H,5-10H2,1-4H3/t11-,13+,15?,16-/m1/s1
- InChI Key
- NRQSCFQEHCHWQB-ORLVNTPVSA-N
- Formula
- C16H26O
- SMILES
- COCC1(C)C(C)=C2CCC(C)C23CCC1C3
- 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.
- 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° | 128.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -254.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.71 | kJ/mol | Joback Calculated Property |
| log10WS | -4.18 | Crippen Calculated Property | |
| logPoct/wat | 4.186 | Crippen Calculated Property | |
| McVol | 205.290 | ml/mol | McGowan Calculated Property |
| Pc | 1944.08 | kPa | Joback Calculated Property |
| Inp | [1627.00; 1627.00] |
|
|
| Inp | 1627.00 | NIST | |
| Inp | 1627.00 | NIST | |
| Tboil | 621.59 | K | Joback Calculated Property |
| Tc | 841.16 | K | Joback Calculated Property |
| Tfus | 408.45 | K | Joback Calculated Property |
| Vc | 0.785 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [585.68; 703.80] | J/mol×K | [621.59; 841.16] |
|
| Cp,gas | 585.68 | J/mol×K | 621.59 | Joback Calculated Property |
| Cp,gas | 607.31 | J/mol×K | 658.19 | Joback Calculated Property |
| Cp,gas | 627.82 | J/mol×K | 694.78 | Joback Calculated Property |
| Cp,gas | 647.46 | J/mol×K | 731.38 | Joback Calculated Property |
| Cp,gas | 666.49 | J/mol×K | 767.97 | Joback Calculated Property |
| Cp,gas | 685.19 | J/mol×K | 804.57 | Joback Calculated Property |
| Cp,gas | 703.80 | J/mol×K | 841.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ziza-5-en-12-yl methyl ether.
Sources
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