- InChI
- InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3
- InChI Key
- UWKAYLJWKGQEPM-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- C=CC(C)(CCC=C(C)C)OC(C)=O
- Molecular Weight1
- 196.29
- CAS
- 115-95-7
- Other Names
-
- (.+/-.)-Linalyl acetate
- 1,5-Dimethyl-1-vinyl-4-hexenyl acetate
- 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate
- 1,6-octadien-3-ol, 3,7-dimethyl-, acetate
- 3,7-Dimethyl-1,6-octadien-3-ol acetate
- 3,7-dimethyl-1,6-octadien-3-yl acetate
- Bergamiol
- Bergamol
- Bergamot mint oil
- Licareol acetate
- Linalol acetate
- Linaloyl acetate
- Lynalyl acetate
- NSC 2138
- Phanteine
- acetic acid linalool ester
- linalool acetate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- ρl : Liquid Density (kg/m3).
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Contents
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4525 | Relay (1.0) Calculated Property | |
| ΔfG° | -21.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -458.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.241 | Crippen Calculated Property | |
| McVol | 178.780 | ml/mol | McGowan Calculated Property |
| Pc | 2054.89 | kPa | Joback Calculated Property |
| Inp | [1221.00; 1295.00] |
|
|
| Inp | 1239.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1239.70 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1246.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1246.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | Outlier 1270.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | 1247.00 | NIST | |
| Inp | 1254.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | Outlier 1295.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1246.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1236.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | Outlier 1270.00 | NIST | |
| Inp | Outlier 1272.00 | NIST | |
| Inp | 1246.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1231.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1239.40 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1240.13 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1239.20 | NIST | |
| Inp | 1242.50 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | Outlier 1227.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | Outlier 1223.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1247.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1259.40 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | Outlier 1221.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1254.00 | NIST | |
| Inp | 1254.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1235.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | Outlier 1277.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1254.00 | NIST | |
| Inp | 1231.00 | NIST | |
| Inp | 1232.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1247.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1236.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | Outlier 1270.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1264.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1254.00 | NIST | |
| Inp | 1263.00 | NIST | |
| Inp | 1254.00 | NIST | |
| Inp | Outlier 1281.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | Outlier 1281.00 | NIST | |
| Inp | Outlier 1221.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1246.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1257.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1246.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1240.00 | NIST | |
| I | [1523.00; 1583.00] |
|
|
| I | 1565.00 | NIST | |
| I | 1548.00 | NIST | |
| I | 1569.00 | NIST | |
| I | 1569.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1535.00 | NIST | |
| I | 1538.00 | NIST | |
| I | 1551.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1543.00 | NIST | |
| I | 1560.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1541.00 | NIST | |
| I | Outlier 1525.00 | NIST | |
| I | 1568.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1559.00 | NIST | |
| I | Outlier 1528.00 | NIST | |
| I | 1569.00 | NIST | |
| I | 1542.00 | NIST | |
| I | 1575.00 | NIST | |
| I | 1549.00 | NIST | |
| I | 1548.00 | NIST | |
| I | 1548.00 | NIST | |
| I | 1549.00 | NIST | |
| I | 1545.00 | NIST | |
| I | 1548.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1549.00 | NIST | |
| I | 1542.00 | NIST | |
| I | 1554.00 | NIST | |
| I | 1553.00 | NIST | |
| I | 1548.00 | NIST | |
| I | 1553.00 | NIST | |
| I | 1557.00 | NIST | |
| I | 1550.00 | NIST | |
| I | 1545.00 | NIST | |
| I | 1563.00 | NIST | |
| I | 1556.00 | NIST | |
| I | 1548.00 | NIST | |
| I | 1538.00 | NIST | |
| I | 1552.00 | NIST | |
| I | 1557.00 | NIST | |
| I | Outlier 1579.00 | NIST | |
| I | 1548.00 | NIST | |
| I | 1557.00 | NIST | |
| I | 1564.00 | NIST | |
| I | 1555.00 | NIST | |
| I | Outlier 1530.00 | NIST | |
| I | 1537.00 | NIST | |
| I | 1552.00 | NIST | |
| I | 1556.00 | NIST | |
| I | 1568.00 | NIST | |
| I | 1568.00 | NIST | |
| I | 1569.00 | NIST | |
| I | 1553.00 | NIST | |
| I | 1553.00 | NIST | |
| I | 1560.00 | NIST | |
| I | 1543.00 | NIST | |
| I | Outlier 1523.00 | NIST | |
| I | 1548.00 | NIST | |
| I | 1544.00 | NIST | |
| I | 1551.00 | NIST | |
| I | 1571.00 | NIST | |
| I | 1559.00 | NIST | |
| I | Outlier 1583.00 | NIST | |
| I | 1568.00 | NIST | |
| I | 1574.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1542.00 | NIST | |
| I | 1558.00 | NIST | |
| I | 1554.00 | NIST | |
| I | 1553.00 | NIST | |
| I | 1556.00 | NIST | |
| I | 1565.00 | NIST | |
| I | Outlier 1527.00 | NIST | |
| I | 1548.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1538.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1537.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1566.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1554.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1563.00 | NIST | |
| I | 1557.00 | NIST | |
| I | 1550.00 | NIST | |
| I | 1538.00 | NIST | |
| I | 1563.00 | NIST | |
| I | 1557.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1568.00 | NIST | |
| I | 1560.00 | NIST | |
| I | 1551.00 | NIST | |
| I | 1574.00 | NIST | |
| Tboil | [493.15; 493.20] | K |
|
| Tboil | 493.15 | K | Liquid-Liquid Equilibria of the (Water + Ethanol + Linalyl Acetate) Ternary System at Different Temperatures |
| Tboil | 493.20 | K | NIST |
| Tc | 660.56 | K | Relay (1.0) Calculated Property |
| Tfus | 228.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.626 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.80; 512.14] | J/mol×K | [547.74; 740.67] |
|
| Cp,gas | 428.80 | J/mol×K | 547.74 | Joback Calculated Property |
| Cp,gas | 444.73 | J/mol×K | 579.89 | Joback Calculated Property |
| Cp,gas | 459.79 | J/mol×K | 612.05 | Joback Calculated Property |
| Cp,gas | 474.02 | J/mol×K | 644.20 | Joback Calculated Property |
| Cp,gas | 487.46 | J/mol×K | 676.36 | Joback Calculated Property |
| Cp,gas | 500.16 | J/mol×K | 708.51 | Joback Calculated Property |
| Cp,gas | 512.14 | J/mol×K | 740.67 | Joback Calculated Property |
| ΔvapH | [56.80; 62.50] | kJ/mol | [298.15; 410.50] |
|
| ΔvapH | 62.50 | kJ/mol | 298.15 | Vapor pressures and vaporization enthalpies of a series of esters used in flavors by correlation gas chromatography |
| ΔvapH | 57.80 | kJ/mol | 385.50 | NIST |
| ΔvapH | 56.80 | kJ/mol | 410.50 | NIST |
Datasets
Mass density, kg/m3
| Fixed | Measured | |
|---|---|---|
| Pressure, kPa - Liquid | Temperature, K - Liquid | Mass density, kg/m3 - Liquid |
| 101.80 | 298.15 | 898.64 |
| Reference | ||
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Mass density, kg/m3 - Liquid |
| 298.15 | 100.00 | 898.6 |
| Reference | ||
Similar Compounds
Find more compounds similar to Linalyl acetate.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Viscosities and densities of systems involved in the deterpenation of essential oils by liquid-liquid extraction: New UNIFAC-VISCO parameters
- Vapor pressures and vaporization enthalpies of a series of esters used in flavors by correlation gas chromatography
- Physical Properties of Model and Real Systems Composed of Essential Oils and Hydroalcoholic Solvents at 298.2 K and Atmospheric Pressure
- Liquid-Liquid Equilibria of the (Water + Ethanol + Linalyl Acetate) Ternary System at Different Temperatures
- Joback Method
- McGowan Method
- NIST Webbook
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.