- InChI
- InChI=1S/C15H26O/c1-6-14(4)11-8-12-15(5,16-14)10-7-9-13(2)3/h6,9H,1,7-8,10-12H2,2-5H3
- InChI Key
- UCUXXGXEGCFWQD-UHFFFAOYSA-N
- Formula
- C15H26O
- SMILES
- C=CC1(C)CCCC(C)(CCC=C(C)C)O1
- Molecular Weight1
- 222.37
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 154.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -187.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.68 | kJ/mol | Joback Calculated Property |
| log10WS | -5.01 | Crippen Calculated Property | |
| logPoct/wat | 4.637 | Crippen Calculated Property | |
| McVol | 208.620 | ml/mol | McGowan Calculated Property |
| Pc | 1880.53 | kPa | Joback Calculated Property |
| Inp | [1564.00; 1640.00] |
|
|
| Inp | 1640.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1640.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Tboil | 585.63 | K | Joback Calculated Property |
| Tc | 800.10 | K | Joback Calculated Property |
| Tfus | 315.52 | K | Joback Calculated Property |
| Vc | 0.786 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.71; 659.20] | J/mol×K | [585.63; 800.10] |
|
| Cp,gas | 545.71 | J/mol×K | 585.63 | Joback Calculated Property |
| Cp,gas | 566.97 | J/mol×K | 621.37 | Joback Calculated Property |
| Cp,gas | 587.00 | J/mol×K | 657.12 | Joback Calculated Property |
| Cp,gas | 606.02 | J/mol×K | 692.86 | Joback Calculated Property |
| Cp,gas | 624.24 | J/mol×K | 728.61 | Joback Calculated Property |
| Cp,gas | 641.90 | J/mol×K | 764.35 | Joback Calculated Property |
| Cp,gas | 659.20 | J/mol×K | 800.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nerolidol oxide.
Sources
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