- InChI
- InChI=1S/C16H26O/c1-11-14-6-5-13(10-17-4)16(14)8-7-12(9-16)15(11,2)3/h12-14H,1,5-10H2,2-4H3
- InChI Key
- KPAXHRFTWMHQDO-UHFFFAOYSA-N
- Formula
- C16H26O
- SMILES
- C=C1C2CCC(COC)C23CCC(C3)C1(C)C
- Molecular Weight1
- 234.38
- CAS
- 300349-20-6
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3643 | Relay (1.0) Calculated Property | |
| ΔfG° | 163.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -186.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.042 | Crippen Calculated Property | |
| McVol | 205.290 | ml/mol | McGowan Calculated Property |
| Pc | 1910.24 | kPa | Joback Calculated Property |
| Inp | [1650.00; 1698.00] |
|
|
| Inp | 1698.00 | NIST | |
| Inp | 1661.60 | NIST | |
| Inp | 1650.00 | NIST | |
| Inp | 1661.60 | NIST | |
| Inp | 1698.00 | NIST | |
| Inp | 1650.00 | NIST | |
| Inp | 1650.00 | NIST | |
| I | [1991.00; 1991.00] |
|
|
| I | 1991.00 | NIST | |
| I | 1991.00 | NIST | |
| Tboil | 555.85 | K | Relay (1.0) Calculated Property |
| Tc | 797.55 | K | Relay (1.0) Calculated Property |
| Tfus | 354.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.707 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [585.07; 706.80] | J/mol×K | [606.96; 824.44] |
|
| Cp,gas | 585.07 | J/mol×K | 606.96 | Joback Calculated Property |
| Cp,gas | 607.69 | J/mol×K | 643.21 | Joback Calculated Property |
| Cp,gas | 629.04 | J/mol×K | 679.45 | Joback Calculated Property |
| Cp,gas | 649.38 | J/mol×K | 715.70 | Joback Calculated Property |
| Cp,gas | 668.95 | J/mol×K | 751.95 | Joback Calculated Property |
| Cp,gas | 688.01 | J/mol×K | 788.19 | Joback Calculated Property |
| Cp,gas | 706.80 | J/mol×K | 824.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ziza-6(13)-en-12-yl methyl ether.
Sources
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