- InChI
- InChI=1S/C16H26O/c1-11-5-6-14-15(3,10-17-4)12(2)13-7-8-16(11,14)9-13/h11,13-14H,2,5-10H2,1,3-4H3/t11-,13?,14+,15?,16-/m0/s1
- InChI Key
- IKRCVMPMBGCISG-KWBMSBLWSA-N
- Formula
- C16H26O
- SMILES
- C=C1C2CCC3(C2)C(C)CCC3C1(C)COC
- Molecular Weight1
- 234.38
- 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 | 0.3761 | Relay (1.0) Calculated Property | |
| ΔfG° | 163.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.86 | 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; 1650.00] |
|
|
| Inp | 1650.00 | NIST | |
| Inp | 1650.00 | NIST | |
| Inp | 1650.00 | NIST | |
| I | [2000.00; 2000.00] |
|
|
| I | 2000.00 | NIST | |
| I | 2000.00 | NIST | |
| Tboil | 557.36 | K | Relay (1.0) Calculated Property |
| Tc | 792.02 | K | Relay (1.0) Calculated Property |
| Tfus | 343.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.703 | 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 Preziza-7(15)-en-12-yl methyl ether.
Sources
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