- InChI
- InChI=1S/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5-6,9H,1,7H2,2-4H3/b8-6+
- InChI Key
- LIMXJCIGROLRED-SOFGYWHQSA-N
- Formula
- C10H16O
- SMILES
- C=CC(C)=CCC1OC1(C)C
- Molecular Weight1
- 152.23
- CAS
- 94607-47-3
- Other Names
-
- trans-myroxide
- 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 | 0.3216 | Relay (... Calculated Property | |
| ΔfG° | 154.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -117.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.94 | kJ/mol | Relay (... Calculated Property |
| IE | 8.63 | eV | Relay (... Calculated Property |
| log10WS | -2.06 | Relay (... Calculated Property | |
| logPoct/wat | 2.686 | Crippen Calculated Property | |
| McVol | 138.170 | ml/mol | McGowan Calculated Property |
| Pc | 2640.67 | kPa | Joback Calculated Property |
| Inp | [1136.00; 1156.00] |
|
|
| Inp | 1136.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1140.00 | NIST | |
| I | [1465.00; 1484.00] |
|
|
| I | 1465.00 | NIST | |
| I | 1484.00 | NIST | |
| I | 1474.00 | NIST | |
| I | 1465.00 | NIST | |
| Tboil | 446.99 | K | Relay (... Calculated Property |
| Tc | 639.70 | K | Relay (... Calculated Property |
| Tfus | 214.94 | K | Relay (... Calculated Property |
| Vc | 0.493 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.19; 383.32] | J/mol×K | [458.18; 657.47] |
|
| Cp,gas | 302.19 | J/mol×K | 458.18 | Joback Calculated Property |
| Cp,gas | 318.21 | J/mol×K | 491.40 | Joback Calculated Property |
| Cp,gas | 333.07 | J/mol×K | 524.61 | Joback Calculated Property |
| Cp,gas | 346.90 | J/mol×K | 557.83 | Joback Calculated Property |
| Cp,gas | 359.80 | J/mol×K | 591.04 | Joback Calculated Property |
| Cp,gas | 371.90 | J/mol×K | 624.26 | Joback Calculated Property |
| Cp,gas | 383.32 | J/mol×K | 657.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Myroxide.
Sources
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