- InChI
- InChI=1S/C16H26O/c1-10-12-6-7-16(9-12)11(2)13(17-5)8-14(16)15(10,3)4/h11-14H,1,6-9H2,2-5H3/t11-,12?,13-,14?,16-/m0/s1
- InChI Key
- NOKNTFRUZUWJBS-FCLZWUKPSA-N
- Formula
- C16H26O
- SMILES
-
C=C1C2CCC3(C2)C(C)C(OC)CC3C1(C
)C - 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).
- 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 | 0.3475 | Relay (1.0) Calculated Property | |
| ΔfG° | 155.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -198.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.040 | Crippen Calculated Property | |
| McVol | 205.290 | ml/mol | McGowan Calculated Property |
| Pc | 1856.31 | kPa | Joback Calculated Property |
| I | [1960.00; 1960.00] |
|
|
| I | 1960.00 | NIST | |
| I | 1960.00 | NIST | |
| Tboil | 550.58 | K | Relay (1.0) Calculated Property |
| Tc | 792.04 | K | Relay (1.0) Calculated Property |
| Tfus | 347.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.710 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [585.98; 710.30] | J/mol×K | [602.29; 819.75] |
|
| Cp,gas | 585.98 | J/mol×K | 602.29 | Joback Calculated Property |
| Cp,gas | 609.12 | J/mol×K | 638.53 | Joback Calculated Property |
| Cp,gas | 630.98 | J/mol×K | 674.78 | Joback Calculated Property |
| Cp,gas | 651.78 | J/mol×K | 711.02 | Joback Calculated Property |
| Cp,gas | 671.78 | J/mol×K | 747.26 | Joback Calculated Property |
| Cp,gas | 691.20 | J/mol×K | 783.51 | Joback Calculated Property |
| Cp,gas | 710.30 | J/mol×K | 819.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Preziza-7(15)-en-3a-yl methyl ether.
Sources
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