- InChI
- InChI=1S/C11H20O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3/b11-8-
- InChI Key
- AVJMJMPVWWWELJ-FLIBITNWSA-N
- Formula
- C11H20O
- SMILES
- COCC=C(C)CCC=C(C)C
- Molecular Weight1
- 168.28
- 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.
- 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 | 0.3900 | Relay (... Calculated Property | |
| ΔfG° | 80.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -229.44 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.13 | kJ/mol | Relay (... Calculated Property |
| IE | 8.28 | eV | Relay (... Calculated Property |
| log10WS | -3.52 | Relay (... Calculated Property | |
| logPoct/wat | 3.325 | Crippen Calculated Property | |
| McVol | 163.120 | ml/mol | McGowan Calculated Property |
| Pc | 2110.00 | kPa | Joback Calculated Property |
| Inp | 1211.90 | NIST | |
| Tboil | 477.30 | K | Relay (... Calculated Property |
| Tc | 642.92 | K | Relay (... Calculated Property |
| Tfus | 207.08 | K | Relay (... Calculated Property |
| Vc | 0.575 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.28; 439.23] | J/mol×K | [481.58; 664.47] | 
|
| Cp,gas | 355.28 | J/mol×K | 481.58 | Joback Calculated Property |
| Cp,gas | 370.97 | J/mol×K | 512.06 | Joback Calculated Property |
| Cp,gas | 385.94 | J/mol×K | 542.54 | Joback Calculated Property |
| Cp,gas | 400.23 | J/mol×K | 573.03 | Joback Calculated Property |
| Cp,gas | 413.85 | J/mol×K | 603.51 | Joback Calculated Property |
| Cp,gas | 426.85 | J/mol×K | 633.99 | Joback Calculated Property |
| Cp,gas | 439.23 | J/mol×K | 664.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nerol, methyl ether.
Sources
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