Chemical Properties of LINALYL ACETATE

LINALYL ACETATE

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
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
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Contents

  1. Physical Properties
  2. Temperature Dependent Properties
  3. Datasets
  4. Correlations
  5. Similar Compounds
  6. Mixtures
  7. Sources

Physical Properties

Property Value Unit Source
ΔfH°gas -458.47 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 21.40 kJ/mol Joback Calculated Property
ΔvapH° 65.66 kJ/mol 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 1980.59 kPa Joback Calculated Property
Inp [1221.00; 1295.00]   Show Hide
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
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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
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Inp 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 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 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
Inp 1245.00 NIST
Inp 1257.00 NIST
Inp 1256.00 NIST
Inp Outlier 1281.00 NIST
Inp 1255.00 NIST
Inp 1246.00 NIST
Inp 1242.00 NIST
Ip [1523.00; 1583.00]   Show Hide
Ip 1565.00 NIST
Ip 1548.00 NIST
Ip 1569.00 NIST
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Ip 1555.00 NIST
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Ip 1538.00 NIST
Ip 1551.00 NIST
Ip 1555.00 NIST
Ip 1543.00 NIST
Ip 1560.00 NIST
Ip 1555.00 NIST
Ip 1541.00 NIST
Ip Outlier 1525.00 NIST
Ip 1568.00 NIST
Ip 1555.00 NIST
Ip 1559.00 NIST
Ip Outlier 1528.00 NIST
Ip 1569.00 NIST
Ip 1542.00 NIST
Ip 1575.00 NIST
Ip 1549.00 NIST
Ip 1548.00 NIST
Ip 1548.00 NIST
Ip 1549.00 NIST
Ip 1545.00 NIST
Ip 1548.00 NIST
Ip 1570.00 NIST
Ip 1549.00 NIST
Ip 1542.00 NIST
Ip 1554.00 NIST
Ip 1553.00 NIST
Ip 1548.00 NIST
Ip 1553.00 NIST
Ip 1557.00 NIST
Ip 1550.00 NIST
Ip 1545.00 NIST
Ip 1563.00 NIST
Ip 1556.00 NIST
Ip 1548.00 NIST
Ip 1538.00 NIST
Ip 1552.00 NIST
Ip 1557.00 NIST
Ip Outlier 1579.00 NIST
Ip 1548.00 NIST
Ip 1557.00 NIST
Ip 1564.00 NIST
Ip 1555.00 NIST
Ip Outlier 1530.00 NIST
Ip 1537.00 NIST
Ip 1552.00 NIST
Ip 1556.00 NIST
Ip 1568.00 NIST
Ip 1568.00 NIST
Ip 1569.00 NIST
Ip 1553.00 NIST
Ip 1553.00 NIST
Ip 1560.00 NIST
Ip 1543.00 NIST
Ip Outlier 1523.00 NIST
Ip 1548.00 NIST
Ip 1544.00 NIST
Ip 1551.00 NIST
Ip 1571.00 NIST
Ip 1559.00 NIST
Ip Outlier 1583.00 NIST
Ip 1568.00 NIST
Ip 1574.00 NIST
Ip 1565.00 NIST
Ip 1565.00 NIST
Ip 1565.00 NIST
Ip 1565.00 NIST
Ip 1555.00 NIST
Ip 1542.00 NIST
Ip 1558.00 NIST
Ip 1554.00 NIST
Ip 1553.00 NIST
Ip 1556.00 NIST
Ip 1565.00 NIST
Ip Outlier 1527.00 NIST
Ip 1548.00 NIST
Ip 1565.00 NIST
Ip 1565.00 NIST
Ip 1538.00 NIST
Ip 1565.00 NIST
Ip 1565.00 NIST
Ip 1537.00 NIST
Ip 1565.00 NIST
Ip 1566.00 NIST
Ip 1565.00 NIST
Ip 1565.00 NIST
Ip 1554.00 NIST
Ip 1565.00 NIST
Ip 1565.00 NIST
Ip 1555.00 NIST
Ip 1563.00 NIST
Ip 1557.00 NIST
Ip 1550.00 NIST
Ip 1538.00 NIST
Ip 1551.00 NIST
Ip 1541.00 NIST
Ip Outlier 1528.00 NIST
Ip 1548.00 NIST
Ip 1570.00 NIST
Ip 1563.00 NIST
Ip 1557.00 NIST
Ip 1555.00 NIST
Ip 1568.00 NIST
Ip 1560.00 NIST
Ip 1574.00 NIST
Ip 1565.00 NIST
Tboil [493.15; 493.20] K Show Hide
Tboil 493.15 K Liquid-Liquid Equilibria of the (Water + Ethanol + Linalyl Acetate) Ternary System at Different Temperatures
Tboil 493.20 K NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Volume, 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
ΔvapH [56.80; 62.50] kJ/mol [298.15; 410.50] Show Hide
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

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [251.26; 588.63] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.39480e+01
Coefficient B1.21478e+00
Coefficient C-8.15200e-04
Coefficient D2.13000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 251.26 J/mol×K 273.00 Calculated Property
Cp,gas 313.22 J/mol×K 353.78 Calculated Property
Cp,gas 367.48 J/mol×K 434.56 Calculated Property
Cp,gas 414.73 J/mol×K 515.33 Calculated Property
Cp,gas 455.63 J/mol×K 596.11 Calculated Property
Cp,gas 490.87 J/mol×K 676.89 Calculated Property
Cp,gas 521.12 J/mol×K 757.67 Calculated Property
Cp,gas 547.05 J/mol×K 838.44 Calculated Property
Cp,gas 569.33 J/mol×K 919.22 Calculated Property
Cp,gas 588.63 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [0.14; 100.12] kPa [328.60; 493.00] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.56090e+01
Coefficient B-4.82141e+03
Coefficient C-5.47980e+01
ReferenceStull, 1947
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.328.60
Temperature range, max.493.00
Pvap 0.14 kPa 328.60 Calculated Property
Pvap 0.41 kPa 346.87 Calculated Property
Pvap 1.08 kPa 365.13 Calculated Property
Pvap 2.55 kPa 383.40 Calculated Property
Pvap 5.52 kPa 401.67 Calculated Property
Pvap 11.07 kPa 419.93 Calculated Property
Pvap 20.77 kPa 438.20 Calculated Property
Pvap 36.80 kPa 456.47 Calculated Property
Pvap 62.04 kPa 474.73 Calculated Property
Pvap 100.12 kPa 493.00 Calculated Property

Similar Compounds

1,5-dimethyl-1-vinylhept-4-enyl acetate. 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate. (Z)-Nerolidol acetate. LINALYL BUTYRATE. (Z)-Nerolidyl acetate. trans-Nerolidyl Acetate. Nerolidyl acetate. LINALYL ISOVALERATE. Linalyl isobutyrate. Pentanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester. Nerolidyl propionate. Hexanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester. Linalyl heptanoate. 1,6-Octadien-3-ol, 3,7-dimethyl-, formate. Linalool, pentafluoropropionate.

Find more compounds similar to LINALYL ACETATE.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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