- InChI
- InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
- InChI Key
- HIGQPQRQIQDZMP-FLIBITNWSA-N
- Formula
- C12H20O2
- SMILES
- CC(=O)OCC=C(C)CCC=C(C)C
- Molecular Weight1
- 196.29
- CAS
- 141-12-8
- Other Names
-
- Nerol acetate
- Neryl acetate
- cis-Geranyl acetate
- (Z)-3,7-Dimethyl-2,6-octadien-1-ol acetate
- (2Z)-3,7-Dimethyl-2,6-octadienyl acetate
- 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° | -40.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -320.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.54 | kJ/mol | Joback Calculated Property |
| log10WS | -3.42 | Crippen Calculated Property | |
| logPoct/wat | 3.242 | Crippen Calculated Property | |
| McVol | 178.780 | ml/mol | McGowan Calculated Property |
| Pc | 2047.46 | kPa | Joback Calculated Property |
| Inp | [1326.00; 1396.00] |
|
|
| Inp | 1342.20 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1368.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1369.00 | NIST | |
| Inp | 1376.00 | NIST | |
| Inp | 1351.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | Outlier 1328.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1368.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1337.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | Outlier 1381.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | Outlier 1386.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1376.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1339.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1369.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | Outlier 1326.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1359.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1359.80 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | 1379.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1351.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1368.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1337.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1359.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1378.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | Outlier 1385.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | Outlier 1396.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1372.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1351.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1368.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1368.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1351.00 | NIST | |
| Inp | Outlier 1386.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | Outlier 1385.00 | NIST | |
| Inp | 1368.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | Outlier 1326.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1339.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1376.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | Outlier 1380.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1377.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1359.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1359.80 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1368.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1365.00 | NIST | |
| Inp | 1359.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Inp | Outlier 1381.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | Outlier 1326.00 | NIST | |
| I | [1680.00; 1769.00] |
|
|
| I | 1735.00 | NIST | |
| I | 1735.00 | NIST | |
| I | Outlier 1768.00 | NIST | |
| I | 1699.00 | NIST | |
| I | 1708.00 | NIST | |
| I | 1743.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1699.00 | NIST | |
| I | 1699.00 | NIST | |
| I | 1700.00 | NIST | |
| I | 1737.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1703.00 | NIST | |
| I | 1722.00 | NIST | |
| I | 1735.00 | NIST | |
| I | 1719.00 | NIST | |
| I | 1721.00 | NIST | |
| I | 1717.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1690.00 | NIST | |
| I | 1705.00 | NIST | |
| I | Outlier 1680.00 | NIST | |
| I | 1706.00 | NIST | |
| I | 1700.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1731.00 | NIST | |
| I | 1742.00 | NIST | |
| I | 1717.00 | NIST | |
| I | 1705.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1692.00 | NIST | |
| I | Outlier 1685.00 | NIST | |
| I | 1734.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1705.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1699.00 | NIST | |
| I | 1722.00 | NIST | |
| I | 1727.00 | NIST | |
| I | 1713.00 | NIST | |
| I | 1703.00 | NIST | |
| I | 1718.00 | NIST | |
| I | 1722.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1706.00 | NIST | |
| I | 1722.00 | NIST | |
| I | 1733.00 | NIST | |
| I | 1730.00 | NIST | |
| I | 1710.00 | NIST | |
| I | 1734.00 | NIST | |
| I | 1733.00 | NIST | |
| I | 1733.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1706.00 | NIST | |
| I | 1699.00 | NIST | |
| I | 1720.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1722.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1699.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1728.00 | NIST | |
| I | 1738.00 | NIST | |
| I | Outlier 1769.00 | NIST | |
| I | Outlier 1754.00 | NIST | |
| I | 1730.00 | NIST | |
| I | 1733.00 | NIST | |
| I | 1697.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1733.00 | NIST | |
| I | 1733.00 | NIST | |
| I | 1691.00 | NIST | |
| I | 1693.00 | NIST | |
| I | 1706.00 | NIST | |
| I | 1708.00 | NIST | |
| I | 1718.00 | NIST | |
| I | 1714.00 | NIST | |
| I | 1730.00 | NIST | |
| I | 1706.00 | NIST | |
| I | 1693.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1706.00 | NIST | |
| I | 1721.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1737.00 | NIST | |
| I | 1729.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1717.00 | NIST | |
| I | 1720.00 | NIST | |
| I | 1728.00 | NIST | |
| I | 1735.00 | NIST | |
| I | 1733.00 | NIST | |
| I | 1720.00 | NIST | |
| I | 1699.00 | NIST | |
| I | 1733.00 | NIST | |
| I | 1733.00 | NIST | |
| I | 1710.00 | NIST | |
| I | 1737.00 | NIST | |
| I | 1729.00 | NIST | |
| I | 1699.00 | NIST | |
| I | Outlier 1768.00 | NIST | |
| I | 1699.00 | NIST | |
| Tboil | 558.33 | K | Joback Calculated Property |
| Tc | 748.06 | K | Joback Calculated Property |
| Tfus | 259.08 | K | Joback Calculated Property |
| Vc | 0.694 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [426.65; 508.12] | J/mol×K | [558.33; 748.06] |
|
| Cp,gas | 426.65 | J/mol×K | 558.33 | Joback Calculated Property |
| Cp,gas | 442.01 | J/mol×K | 589.95 | Joback Calculated Property |
| Cp,gas | 456.62 | J/mol×K | 621.57 | Joback Calculated Property |
| Cp,gas | 470.50 | J/mol×K | 653.20 | Joback Calculated Property |
| Cp,gas | 483.69 | J/mol×K | 684.82 | Joback Calculated Property |
| Cp,gas | 496.22 | J/mol×K | 716.44 | Joback Calculated Property |
| Cp,gas | 508.12 | J/mol×K | 748.06 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 407.20 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.