- 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
- InChI Key
- FQTLCLSUCSAZDY-UHFFFAOYSA-N
- Formula
- C15H26O
- SMILES
- C=CC(C)(O)CCC=C(C)CCC=C(C)C
- Molecular Weight1
- 222.37
- CAS
- 7212-44-4
- Other Names
-
- Nerolidol
- 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol
- 3,7,11-Trimethyldodeca-1,6,10-trien-3-ol
- 3-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene
- (.+/-.)-Nerolidol
- 3,7,11-Trimethyl-1,6,10-dodecatriene-3-ol
- FCI 119b
- 3,7,11-trimethyl-1,6,10-dodecatrien-3-ol (nerolidol)
- 3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixed isomers
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 27.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.40 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.396 | Crippen Calculated Property | |
| McVol | 215.180 | ml/mol | McGowan Calculated Property |
| Inp | [1514.00; 1608.00] |
|
|
| Inp | 1562.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | Outlier 1583.00 | NIST | |
| Inp | Outlier 1583.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Inp | 1565.60 | NIST | |
| Inp | 1568.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1572.50 | NIST | |
| Inp | 1567.70 | NIST | |
| Inp | 1568.90 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1568.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1573.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1547.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1561.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Inp | 1561.00 | NIST | |
| Inp | 1575.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1559.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1569.00 | NIST | |
| Inp | Outlier 1520.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Inp | Outlier 1608.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Inp | 1578.00 | NIST | |
| Inp | 1556.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1544.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1567.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1582.00 | NIST | |
| Inp | 1559.00 | NIST | |
| Inp | 1567.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1569.00 | NIST | |
| Inp | 1561.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1561.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | Outlier 1527.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Inp | 1559.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1578.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Inp | Outlier 1525.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Inp | 1556.00 | NIST | |
| Inp | 1568.00 | NIST | |
| Inp | Outlier 1514.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | Outlier 1530.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1561.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 1547.00 | NIST | |
| Inp | 1570.00 | NIST | |
| Inp | 1578.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1559.00 | NIST | |
| Inp | 1569.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Inp | Outlier 1520.00 | NIST | |
| Inp | 1556.00 | NIST | |
| Inp | Outlier 1530.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1564.00 | NIST | |
| I | [1990.00; 2065.00] |
|
|
| I | 1991.00 | NIST | |
| I | 2030.00 | NIST | |
| I | 2053.00 | NIST | |
| I | 2053.00 | NIST | |
| I | 2009.00 | NIST | |
| I | 2000.00 | NIST | |
| I | 2000.00 | NIST | |
| I | 2021.00 | NIST | |
| I | 2020.00 | NIST | |
| I | 2050.00 | NIST | |
| I | 2046.00 | NIST | |
| I | 2050.00 | NIST | |
| I | 2039.00 | NIST | |
| I | 2037.00 | NIST | |
| I | 2024.00 | NIST | |
| I | 2033.00 | NIST | |
| I | 2031.00 | NIST | |
| I | 2057.00 | NIST | |
| I | 1991.00 | NIST | |
| I | 1991.00 | NIST | |
| I | 2003.00 | NIST | |
| I | 2003.00 | NIST | |
| I | 2056.00 | NIST | |
| I | 2041.00 | NIST | |
| I | 2044.00 | NIST | |
| I | 2034.00 | NIST | |
| I | 2035.00 | NIST | |
| I | 2008.00 | NIST | |
| I | 2050.00 | NIST | |
| I | 2050.00 | NIST | |
| I | 2030.00 | NIST | |
| I | 2052.00 | NIST | |
| I | 2012.00 | NIST | |
| I | 2045.00 | NIST | |
| I | 1999.00 | NIST | |
| I | 2034.00 | NIST | |
| I | 2049.00 | NIST | |
| I | 2048.00 | NIST | |
| I | 2037.00 | NIST | |
| I | 2039.00 | NIST | |
| I | 2003.00 | NIST | |
| I | 2003.00 | NIST | |
| I | 2047.00 | NIST | |
| I | 2043.00 | NIST | |
| I | 2025.00 | NIST | |
| I | 2002.00 | NIST | |
| I | 1990.00 | NIST | |
| I | 2047.00 | NIST | |
| I | 2031.00 | NIST | |
| I | 2041.00 | NIST | |
| I | 2044.00 | NIST | |
| I | 2043.00 | NIST | |
| I | 1991.00 | NIST | |
| I | 2003.00 | NIST | |
| I | 2005.00 | NIST | |
| I | 1991.00 | NIST | |
| I | 2005.00 | NIST | |
| I | 2056.00 | NIST | |
| I | 2034.00 | NIST | |
| I | 2065.00 | NIST | |
| I | 2039.00 | NIST | |
| I | 2014.00 | NIST | |
| I | 2042.00 | NIST | |
| I | 2027.00 | NIST | |
| I | 2044.00 | NIST | |
| I | 2034.00 | NIST | |
| I | 2025.00 | NIST | |
| I | 2020.00 | NIST | |
| I | 2033.00 | NIST | |
| I | 2037.00 | NIST | |
| I | 2000.00 | NIST | |
| I | 2020.00 | NIST | |
| I | 2065.00 | NIST | |
| I | 2044.00 | NIST | |
| I | 2037.00 | NIST | |
| I | 1991.00 | NIST | |
| I | 2000.00 | NIST | |
| I | 2050.00 | NIST | |
| I | 2024.00 | NIST | |
| Tboil | 549.98 | K | Relay (1.0) Calculated Property |
| Tfus | 272.37 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [386.00; 387.20] | K | [0.10; 0.10] |
|
| Tboilr | 387.20 | K | 0.10 | NIST |
| Tboilr | 386.00 ± 1.00 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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