Chemical Properties of Citronellol (CAS 106-22-9)

Citronellol

InChI
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
InChI Key
QMVPMAAFGQKVCJ-UHFFFAOYSA-N
Formula
C10H20O
SMILES
CC(C)=CCCC(C)CCO
Molecular Weight1
156.27
CAS
106-22-9
Other Names
  • (.+-.)-3.7-dimethyl-6-octen-1-ol
  • 2,3-Dihydrogeraniol
  • 2,6-Dimethyl-2-octen-8-ol
  • 3,7-dimethyl-6-octen-1-ol
  • 3,7-dimethyl-6-octen-1-ol (citronellol)
  • 6-Octen-1-ol, 3,7-dimethyl-
  • Cephrol
  • Elenol
  • NSC 8779
  • R-(+)-3,7-Dimethyl-6-octen-1-ol
  • R-(+)-«beta»-Citronellol
  • Rhodinol
  • Rodinol
  • dl-Citronellol
  • «beta»-Citronellol
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Physical Properties

Property Value Unit Source
ΔfusH° 21.11 kJ/mol Joback Calculated Property
ΔvapH° 63.50 kJ/mol NIST
IE 8.53 eV Relay (1.0) Calculated Property
logPoct/wat 2.751 Crippen Calculated Property
McVol 153.330 ml/mol McGowan Calculated Property
Inp [1202.00; 1266.00]   Show Hide
Inp 1208.15 NIST
Inp 1208.27 NIST
Inp 1208.61 NIST
Inp 1209.09 NIST
Inp 1209.73 NIST
Inp 1210.52 NIST
Inp 1211.44 NIST
Inp 1212.51 NIST
Inp 1213.78 NIST
Inp 1215.02 NIST
Inp 1216.54 NIST
Inp 1208.20 NIST
Inp 1208.44 NIST
Inp 1208.49 NIST
Inp 1208.77 NIST
Inp 1209.17 NIST
Inp 1209.82 NIST
Inp 1210.54 NIST
Inp 1211.43 NIST
Inp 1212.46 NIST
Inp 1213.56 NIST
Inp 1209.60 NIST
Inp 1208.98 NIST
Inp 1208.60 NIST
Inp 1209.80 NIST
Inp 1228.00 NIST
Inp 1228.00 NIST
Inp 1229.00 NIST
Inp 1229.00 NIST
Inp 1230.00 NIST
Inp 1230.00 NIST
Inp 1228.00 NIST
Inp 1228.00 NIST
Inp 1228.00 NIST
Inp 1229.00 NIST
Inp 1229.00 NIST
Inp 1229.00 NIST
Inp 1230.00 NIST
Inp 1231.00 NIST
Inp 1229.00 NIST
Inp 1229.00 NIST
Inp 1218.00 NIST
Inp 1225.00 NIST
Inp 1228.00 NIST
Inp Outlier 1245.00 NIST
Inp 1228.00 NIST
Inp 1232.00 NIST
Inp 1211.00 NIST
Inp 1211.00 NIST
Inp 1230.00 NIST
Inp 1240.00 NIST
Inp 1217.00 NIST
Inp 1232.00 NIST
Inp 1220.00 NIST
Inp 1215.00 NIST
Inp 1215.00 NIST
Inp 1220.00 NIST
Inp 1212.00 NIST
Inp 1202.00 NIST
Inp 1228.00 NIST
Inp 1228.00 NIST
Inp 1228.00 NIST
Inp 1228.00 NIST
Inp 1215.00 NIST
Inp 1236.00 NIST
Inp 1215.00 NIST
Inp 1228.00 NIST
Inp 1215.00 NIST
Inp 1215.00 NIST
Inp 1213.00 NIST
Inp 1216.00 NIST
Inp 1210.00 NIST
Inp 1213.00 NIST
Inp 1225.00 NIST
Inp 1208.00 NIST
Inp 1228.00 NIST
Inp 1228.00 NIST
Inp 1228.00 NIST
Inp 1231.00 NIST
Inp 1208.00 NIST
Inp 1207.00 NIST
Inp 1227.00 NIST
Inp 1225.00 NIST
Inp 1233.00 NIST
Inp 1235.00 NIST
Inp 1234.00 NIST
Inp 1208.00 NIST
Inp 1221.00 NIST
Inp 1226.00 NIST
Inp 1224.00 NIST
Inp 1213.00 NIST
Inp 1214.00 NIST
Inp 1236.00 NIST
Inp 1232.00 NIST
Inp 1215.00 NIST
Inp 1229.00 NIST
Inp 1238.00 NIST
Inp 1229.00 NIST
Inp 1231.00 NIST
Inp 1212.00 NIST
Inp 1224.00 NIST
Inp 1237.00 NIST
Inp 1210.00 NIST
Inp 1212.00 NIST
Inp 1213.00 NIST
Inp 1213.00 NIST
Inp 1214.00 NIST
Inp 1233.00 NIST
Inp 1236.00 NIST
Inp 1209.00 NIST
Inp 1222.00 NIST
Inp 1207.00 NIST
Inp 1235.00 NIST
Inp 1210.00 NIST
Inp 1208.00 NIST
Inp 1220.00 NIST
Inp 1225.00 NIST
Inp 1207.00 NIST
Inp 1208.00 NIST
Inp 1224.00 NIST
Inp 1212.00 NIST
Inp 1207.00 NIST
Inp 1207.00 NIST
Inp 1218.00 NIST
Inp 1222.00 NIST
Inp 1222.00 NIST
Inp 1225.00 NIST
Inp 1207.00 NIST
Inp 1212.00 NIST
Inp 1215.00 NIST
Inp 1229.00 NIST
Inp 1209.00 NIST
Inp 1209.00 NIST
Inp 1211.70 NIST
Inp 1214.40 NIST
Inp 1208.00 NIST
Inp 1206.00 NIST
Inp 1211.00 NIST
Inp 1228.50 NIST
Inp 1232.90 NIST
Inp 1237.00 NIST
Inp 1232.00 NIST
Inp 1229.30 NIST
Inp 1238.00 NIST
Inp 1226.00 NIST
Inp 1237.00 NIST
Inp 1229.00 NIST
Inp 1228.00 NIST
Inp 1228.00 NIST
Inp 1231.00 NIST
Inp 1223.00 NIST
Inp 1228.00 NIST
Inp 1221.00 NIST
Inp 1223.00 NIST
Inp 1231.00 NIST
Inp 1231.00 NIST
Inp 1224.00 NIST
Inp 1225.00 NIST
Inp 1236.00 NIST
Inp 1213.00 NIST
Inp 1213.00 NIST
Inp 1237.00 NIST
Inp 1226.00 NIST
Inp Outlier 1266.00 NIST
Inp 1227.00 NIST
Inp 1210.00 NIST
Inp 1216.00 NIST
Inp 1212.00 NIST
Inp 1228.00 NIST
Inp 1226.00 NIST
Inp 1209.00 NIST
Inp 1233.00 NIST
Inp 1234.00 NIST
Inp 1235.00 NIST
Inp 1235.00 NIST
Inp 1237.00 NIST
Inp 1235.00 NIST
Inp 1226.00 NIST
Inp 1232.00 NIST
Inp 1228.00 NIST
Inp 1225.00 NIST
Inp 1243.00 NIST
Inp 1228.00 NIST
Inp 1228.00 NIST
Inp 1234.00 NIST
Inp 1227.00 NIST
Inp 1212.00 NIST
Inp 1228.00 NIST
Inp 1228.00 NIST
Inp 1214.00 NIST
Inp 1231.00 NIST
Inp 1227.00 NIST
Inp 1237.00 NIST
Inp 1208.00 NIST
Inp 1210.00 NIST
Inp 1208.00 NIST
Inp 1226.00 NIST
Inp 1207.00 NIST
Inp 1210.00 NIST
Inp 1222.00 NIST
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Inp 1233.00 NIST
Inp 1230.00 NIST
Inp 1228.00 NIST
Inp 1227.00 NIST
Inp 1233.00 NIST
Inp 1241.00 NIST
Inp 1229.00 NIST
Inp 1223.00 NIST
Inp 1230.00 NIST
Inp 1237.00 NIST
Inp 1211.00 NIST
Inp 1234.00 NIST
Inp 1230.00 NIST
Inp 1228.00 NIST
Inp 1233.00 NIST
Inp Outlier 1259.00 NIST
Inp 1228.00 NIST
Inp 1227.00 NIST
Inp 1212.00 NIST
Inp 1221.00 NIST
Inp 1211.00 NIST
Inp 1228.00 NIST
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Inp 1215.00 NIST
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Inp 1207.00 NIST
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Inp 1212.00 NIST
Inp 1225.00 NIST
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Inp 1212.00 NIST
Inp 1209.00 NIST
Inp 1212.00 NIST
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Inp 1231.00 NIST
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Inp 1209.00 NIST
Inp 1211.00 NIST
Inp 1211.00 NIST
Inp 1204.00 NIST
Inp 1209.00 NIST
Inp 1210.00 NIST
Inp 1209.00 NIST
Inp 1207.00 NIST
Inp 1209.00 NIST
Inp 1218.00 NIST
Inp 1228.00 NIST
Inp 1211.00 NIST
Inp 1211.00 NIST
Inp 1226.00 NIST
Inp 1233.00 NIST
Inp 1233.00 NIST
Inp 1226.00 NIST
Inp 1212.00 NIST
Inp 1229.00 NIST
Inp 1236.00 NIST
Inp 1226.00 NIST
Inp 1213.00 NIST
Inp 1231.00 NIST
Inp 1232.00 NIST
Inp 1230.00 NIST
Inp 1225.00 NIST
Inp 1212.00 NIST
Inp 1236.00 NIST
Inp 1210.00 NIST
Inp 1229.00 NIST
Inp 1231.00 NIST
Inp 1232.00 NIST
Inp 1226.00 NIST
Inp 1226.00 NIST
Inp 1208.00 NIST
Inp 1210.00 NIST
Inp 1226.00 NIST
Inp 1226.00 NIST
Inp Outlier 1260.00 NIST
Inp 1227.00 NIST
Inp 1230.00 NIST
Inp 1230.00 NIST
Inp 1226.00 NIST
Inp 1226.00 NIST
Inp 1230.00 NIST
Inp 1226.00 NIST
Inp 1228.00 NIST
Inp 1228.00 NIST
Inp 1226.00 NIST
Inp Outlier 1260.00 NIST
Inp 1211.00 NIST
Inp 1215.00 NIST
Inp Outlier 1260.00 NIST
Inp 1228.00 NIST
Inp 1210.00 NIST
Inp 1208.00 NIST
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Inp 1208.00 NIST
Inp 1227.00 NIST
Inp 1216.00 NIST
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Inp 1215.00 NIST
Inp 1225.00 NIST
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Inp 1226.00 NIST
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Inp 1210.00 NIST
Inp 1208.00 NIST
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Inp 1211.70 NIST
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Ip [1717.00; 1811.00]   Show Hide
Ip 1737.00 NIST
Ip Outlier 1803.00 NIST
Ip 1755.00 NIST
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Ip 1782.00 NIST
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Ip 1769.00 NIST
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Ip 1755.00 NIST
Ip 1760.00 NIST
Ip 1757.00 NIST
Ip Outlier 1717.00 NIST
Ip 1773.00 NIST
Ip Outlier 1722.00 NIST
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Ip 1773.00 NIST
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Ip 1774.00 NIST
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Ip 1773.60 NIST
Ip 1760.00 NIST
Ip Outlier 1730.00 NIST
Ip 1770.00 NIST
Ip 1765.00 NIST
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Ip 1756.00 NIST
Ip 1770.00 NIST
Ip 1760.00 NIST
Ip 1756.00 NIST
Ip 1770.00 NIST
Ip 1763.00 NIST
Ip 1759.00 NIST
Ip 1747.00 NIST
Ip Outlier 1719.00 NIST
Ip 1737.00 NIST
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Ip 1760.70 NIST
Ip 1762.60 NIST
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Ip 1790.00 NIST
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Ip Outlier 1803.00 NIST
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Ip Outlier 1724.00 NIST
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Ip 1769.00 NIST
Ip 1752.00 NIST
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Ip 1768.00 NIST
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Ip 1773.00 NIST
Ip 1778.00 NIST
Ip 1764.00 NIST
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Ip 1763.00 NIST
Ip 1764.00 NIST
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Ip 1751.00 NIST
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Ip 1745.00 NIST
Ip 1741.00 NIST
Ip 1767.00 NIST
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Ip 1790.00 NIST
Ip 1766.00 NIST
Ip 1780.00 NIST
Ip Outlier 1811.00 NIST
Ip 1744.00 NIST
Ip 1760.00 NIST
Ip 1775.00 NIST
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Ip 1754.00 NIST
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Ip 1772.00 NIST
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Ip 1772.00 NIST
Ip 1779.00 NIST
Ip 1763.00 NIST
Ip 1777.00 NIST
Ip 1777.00 NIST
Ip 1751.00 NIST
Ip 1781.00 NIST
Ip 1735.00 NIST
Ip Outlier 1722.00 NIST
Ip 1767.00 NIST
Ip Outlier 1811.00 NIST
Ip 1754.00 NIST
Ip 1772.00 NIST
Ip 1751.00 NIST
Ip Outlier 1724.00 NIST
Ip 1764.00 NIST
Ip 1778.00 NIST
Ip 1774.00 NIST
Ip Outlier 1800.00 NIST
Ip 1761.00 NIST
Ip 1745.00 NIST
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Ip 1756.00 NIST
Tboil [495.20; 497.55] K Show Hide
Tboil 495.20 K NIST
Tboil 497.55 ± 0.40 K NIST
Tboil 497.00 ± 1.00 K NIST
Tfus 217.67 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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
ΔsubH 66.10 kJ/mol 308.00 NIST
ΔvapH [65.90; 72.60] kJ/mol [313.00; 436.50] Show Hide
ΔvapH 72.60 kJ/mol 313.00 NIST
ΔvapH 65.90 kJ/mol 436.50 NIST
ρl 855.37 kg/m3 293.15 (Liquid + liquid) equilibria for (water + 1-propanol or acetone + .beta.-citronellol) at different temperatures

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [215.96; 523.59] 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-1.64660e+01
Coefficient B1.01366e+00
Coefficient C-6.39900e-04
Coefficient D1.66300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 215.96 J/mol×K 273.00 Calculated Property
Cp,gas 269.42 J/mol×K 353.78 Calculated Property
Cp,gas 316.83 J/mol×K 434.56 Calculated Property
Cp,gas 358.73 J/mol×K 515.33 Calculated Property
Cp,gas 395.63 J/mol×K 596.11 Calculated Property
Cp,gas 428.06 J/mol×K 676.89 Calculated Property
Cp,gas 456.54 J/mol×K 757.67 Calculated Property
Cp,gas 481.61 J/mol×K 838.44 Calculated Property
Cp,gas 503.78 J/mol×K 919.22 Calculated Property
Cp,gas 523.59 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [0.25; 202.66] kPa [353.15; 521.65] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.62029e+01
Coefficient B-4.81412e+03
Coefficient C-7.96360e+01
Temperature range, min.353.15
Temperature range, max.521.65
Pvap 0.25 kPa 353.15 Calculated Property
Pvap 0.76 kPa 371.87 Calculated Property
Pvap 2.06 kPa 390.59 Calculated Property
Pvap 4.96 kPa 409.32 Calculated Property
Pvap 10.86 kPa 428.04 Calculated Property
Pvap 21.97 kPa 446.76 Calculated Property
Pvap 41.52 kPa 465.48 Calculated Property
Pvap 73.96 kPa 484.21 Calculated Property
Pvap 125.19 kPa 502.93 Calculated Property
Pvap 202.66 kPa 521.65 Calculated Property
Pvap [0.13; 99.89] kPa [339.60; 494.70] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.79429e+01
Coefficient B-6.24451e+03
Coefficient C-2.65520e+01
ReferenceStull, 1947
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.339.60
Temperature range, max.494.70
Pvap 0.13 kPa 339.60 Calculated Property
Pvap 0.38 kPa 356.83 Calculated Property
Pvap 0.97 kPa 374.07 Calculated Property
Pvap 2.28 kPa 391.30 Calculated Property
Pvap 4.93 kPa 408.53 Calculated Property
Pvap 9.98 kPa 425.77 Calculated Property
Pvap 19.07 kPa 443.00 Calculated Property
Pvap 34.61 kPa 460.23 Calculated Property
Pvap 60.00 kPa 477.47 Calculated Property
Pvap 99.89 kPa 494.70 Calculated Property

Similar Compounds

6-Octen-1-ol, 3,7-dimethyl-, (R)-. (-)-3,7-dimethyloct-6-en-1-ol. Apofarnesol<(z)-Dihydro->. Dihydrofarnesol. 6,10-Dodecadien-1-ol, 3,7,11-trimethyl-. Dodeca-1,6-dien-12-ol, 6,10-dimethyl-. «beta»-Citronellol, methyl ether. 5,9-Dimethyl-8-decen-3-ol. 11-methyl-7-tridecen-1-ol. (R)-(-)-(Z)-14-Methyl-8-hexadecen-1-ol. 5-Hepten-1-ol, 2,6-dimethyl-. 6-Octen-1-ol, 3,7-dimethyl-, formate. Citronellic acid. (R)-(+)-Citronellic acid. Citronellyl vinyl ether.

Find more compounds similar to Citronellol.

Mixtures

Sources

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