- InChI
- InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
- InChI Key
- JOZKFWLRHCDGJA-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CC(=O)OCCC(C)CCC=C(C)C
- Molecular Weight1
- 198.30
- CAS
- 150-84-5
- Other Names
-
- (.+-.)-citronellyl acetate
- 1-Acetoxy-3,7-dimethyloct-6-ene
- 2-Octen-8-ol, 2,6-dimethyl-, acetate
- 3,7-Dimethyl-6-octen-1-yl acetate
- 3,7-Dimethyl-6-octenyl acetate
- 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate
- Acetic acid, 3,7-dimethyl-6-octen-1-yl ester
- Acetic acid, citronellyl ester
- Acetic acid, rhodinyl ester
- Cephreine
- Citronellol acetate
- CitronellyI acetate
- Citronellyl acetate
- Cytronellyl acetate
- NSC 4893
- Natural rhodinol, acetylated
- dl-citronellol acetate
- «beta»-Citronellol, acetate
- «beta»-Citronellyl acetate
- «beta»-Citronellol, acetate
- «beta»-Citronellyl 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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° | -114.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.11 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 3.322 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1959.60 | kPa | Joback Calculated Property |
| Inp | [1314.00; 1376.00] |
|
|
| Inp | 1335.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1337.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | Outlier 1376.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1333.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1337.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1337.00 | NIST | |
| Inp | 1333.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1329.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1325.00 | NIST | |
| Inp | 1331.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1331.00 | NIST | |
| Inp | 1331.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1351.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1333.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1351.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | Outlier 1314.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1326.00 | NIST | |
| Inp | 1331.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1333.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1333.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1332.10 | NIST | |
| Inp | 1333.40 | NIST | |
| Inp | 1332.10 | NIST | |
| Inp | 1333.70 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1351.90 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1333.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | 1326.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1333.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | Outlier 1314.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | Outlier 1368.00 | NIST | |
| Inp | 1330.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1333.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1351.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1333.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1333.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1339.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1333.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1352.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1341.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1337.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1351.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1337.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1360.00 | NIST | |
| Inp | 1335.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1332.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Inp | 1336.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1347.00 | NIST | |
| I | [1610.00; 1692.00] |
|
|
| I | 1671.00 | NIST | |
| I | 1671.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1672.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1657.00 | NIST | |
| I | 1655.00 | NIST | |
| I | 1657.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1658.00 | NIST | |
| I | 1666.00 | NIST | |
| I | 1655.00 | NIST | |
| I | 1658.00 | NIST | |
| I | Outlier 1623.00 | NIST | |
| I | 1648.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1648.00 | NIST | |
| I | 1675.00 | NIST | |
| I | 1663.00 | NIST | |
| I | 1658.00 | NIST | |
| I | 1654.00 | NIST | |
| I | 1654.00 | NIST | |
| I | 1673.00 | NIST | |
| I | 1668.00 | NIST | |
| I | 1668.00 | NIST | |
| I | 1657.00 | NIST | |
| I | 1657.00 | NIST | |
| I | 1657.00 | NIST | |
| I | 1644.00 | NIST | |
| I | 1651.00 | NIST | |
| I | 1643.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1661.60 | NIST | |
| I | 1663.30 | NIST | |
| I | 1661.40 | NIST | |
| I | 1661.60 | NIST | |
| I | 1648.00 | NIST | |
| I | 1649.00 | NIST | |
| I | Outlier 1692.00 | NIST | |
| I | 1652.00 | NIST | |
| I | Outlier 1610.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1668.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1633.00 | NIST | |
| I | 1659.00 | NIST | |
| I | 1666.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1643.00 | NIST | |
| I | 1655.00 | NIST | |
| I | 1669.00 | NIST | |
| I | 1669.00 | NIST | |
| I | 1658.00 | NIST | |
| I | 1658.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1670.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1654.00 | NIST | |
| I | 1634.00 | NIST | |
| I | 1655.00 | NIST | |
| I | 1671.00 | NIST | |
| I | 1652.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1649.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1654.00 | NIST | |
| I | Outlier 1616.00 | NIST | |
| I | 1649.00 | NIST | |
| I | 1667.00 | NIST | |
| I | 1671.00 | NIST | |
| I | 1662.00 | NIST | |
| I | 1669.00 | NIST | |
| I | 1672.00 | NIST | |
| I | 1671.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1656.00 | NIST | |
| I | 1658.00 | NIST | |
| I | 1664.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1679.00 | NIST | |
| I | 1668.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1668.00 | NIST | |
| I | 1671.00 | NIST | |
| I | 1668.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1668.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1669.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1634.00 | NIST | |
| I | 1649.00 | NIST | |
| I | 1672.00 | NIST | |
| Tboil | 553.85 | K | Joback Calculated Property |
| Tc | 736.57 | K | Joback Calculated Property |
| Tfus | 263.12 | K | Joback Calculated Property |
| Vc | 0.707 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.83; 530.86] | J/mol×K | [553.85; 736.57] |
|
| Cp,gas | 445.83 | J/mol×K | 553.85 | Joback Calculated Property |
| Cp,gas | 461.72 | J/mol×K | 584.30 | Joback Calculated Property |
| Cp,gas | 476.90 | J/mol×K | 614.76 | Joback Calculated Property |
| Cp,gas | 491.38 | J/mol×K | 645.21 | Joback Calculated Property |
| Cp,gas | 505.19 | J/mol×K | 675.66 | Joback Calculated Property |
| Cp,gas | 518.34 | J/mol×K | 706.11 | Joback Calculated Property |
| Cp,gas | 530.86 | J/mol×K | 736.57 | Joback Calculated Property |
| ΔvapH | [67.80; 68.70] | kJ/mol | [298.15; 418.50] |
|
| ΔvapH | 67.80 | kJ/mol | 298.15 | Vapor p... |
| ΔvapH | 68.70 | kJ/mol | 418.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [382.42; 552.94] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41991e+01 | |||
| Coefficient B | -4.19673e+03 | |||
| Coefficient C | -8.07480e+01 | |||
| Temperature range, min. | 382.42 | |||
| Temperature range, max. | 552.94 | |||
| Pvap | 1.33 | kPa | 382.42 | Calculated Property |
| Pvap | 3.03 | kPa | 401.37 | Calculated Property |
| Pvap | 6.30 | kPa | 420.31 | Calculated Property |
| Pvap | 12.10 | kPa | 439.26 | Calculated Property |
| Pvap | 21.77 | kPa | 458.21 | Calculated Property |
| Pvap | 37.05 | kPa | 477.15 | Calculated Property |
| Pvap | 60.05 | kPa | 496.10 | Calculated Property |
| Pvap | 93.31 | kPa | 515.05 | Calculated Property |
| Pvap | 139.75 | kPa | 533.99 | Calculated Property |
| Pvap | 202.63 | kPa | 552.94 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Octen-1-ol, 3,7-dimethyl-, acetate.
Sources
- Crippen Method
- Crippen Method
- Vapor pressures and vaporization enthalpies of a series of esters used in flavors by correlation gas chromatography
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.