- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | [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 | 1583.00 | NIST | |
| Inp | 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 | Outlier 1520.00 | 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 | |
| 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 | 1991.00 | NIST | |
| I | 2000.00 | 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 |
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
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