- InChI
- InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-
- InChI Key
- FQTLCLSUCSAZDY-KAMYIIQDSA-N
- Formula
- C15H26O
- SMILES
- C=CC(C)(O)CCC=C(C)CCC=C(C)C
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 172.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.77 | kJ/mol | Joback Calculated Property |
| log10WS | -5.04 | Crippen Calculated Property | |
| logPoct/wat | 4.396 | Crippen Calculated Property | |
| McVol | 215.180 | ml/mol | McGowan Calculated Property |
| Pc | 1749.21 | kPa | Joback Calculated Property |
| Inp | [1550.00; 1551.00] |
|
|
| Inp | 1550.00 | NIST | |
| Inp | 1551.00 | NIST | |
| I | [2044.00; 2044.00] |
|
|
| I | 2044.00 | NIST | |
| I | 2044.00 | NIST | |
| Tboil | 636.31 | K | Joback Calculated Property |
| Tc | 817.59 | K | Joback Calculated Property |
| Tfus | 282.21 | K | Joback Calculated Property |
| Vc | 0.827 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.19; 658.66] | J/mol×K | [636.31; 817.59] |
|
| Cp,gas | 575.19 | J/mol×K | 636.31 | Joback Calculated Property |
| Cp,gas | 591.00 | J/mol×K | 666.52 | Joback Calculated Property |
| Cp,gas | 605.97 | J/mol×K | 696.74 | Joback Calculated Property |
| Cp,gas | 620.16 | J/mol×K | 726.95 | Joback Calculated Property |
| Cp,gas | 633.63 | J/mol×K | 757.17 | Joback Calculated Property |
| Cp,gas | 646.44 | J/mol×K | 787.38 | Joback Calculated Property |
| Cp,gas | 658.66 | J/mol×K | 817.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nerolidol isomer.
Sources
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