Chemical Properties of trans-«beta»-Ocimene (CAS 3779-61-1)

trans-«beta»-Ocimene

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InChI
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
InChI Key
IHPKGUQCSIINRJ-CSKARUKUSA-N
Formula
C10H16
SMILES
C=CC(C)=CCC=C(C)C
Molecular Weight1
136.23
CAS
3779-61-1
Other Names
  • 1,3,6-Octatriene, 3,7-dimethyl-, (E)-
  • «beta»-trans-Ocimene
  • trans-3,7-Dimethyl-1,3,6-Octatriene
  • Ocimene, trans-«beta»-
  • (E)-Ocimene
  • trans-Ocimene
  • (3E)-3,7-Dimethyl-1,3,6-octatriene
  • «beta»-(E)-Ocimene
  • «beta»-Ocimene, (E)-
  • (E)- «beta»-Ocimene
  • (E)-3,7-Dimethyl-1,3,6-octatriene
  • Ocimene, trans
  • t-«beta»-Ocimene
  • Ocimene trans-beta-form
  • (E)-3,7-Dimethylocta-1,3,6-triene
  • t-Ocimene
  • «beta»-Ocymene, (E)-
  • ocimene-x
  • (E)- «beta»-Ocimene (trans-ocimene)
  • (E)-«beta»-3,7-dimethyl-1,3,6-octatriene ((E)-«beta»-ocimene)
  • (E)- «beta»-Ocymene
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Physical Properties

Property Value Unit Source
Δf 264.50 kJ/mol Joback Calculated Property
Δfgas 90.56 kJ/mol Joback Calculated Property
Δfus 18.16 kJ/mol Joback Calculated Property
Δvap 37.26 kJ/mol Joback Calculated Property
log10WS -3.57 Crippen Calculated Property
logPoct/wat 3.475 Crippen Calculated Property
McVol 138.860 ml/mol McGowan Calculated Property
Pc 2445.89 kPa Joback Calculated Property
Inp [1003.00; 1092.00]   Show Hide
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Inp 1036.00 NIST
Inp Outlier 1027.00 NIST
Inp 1031.00 NIST
Inp 1050.00 NIST
Inp 1047.00 NIST
Inp 1046.00 NIST
Inp 1048.00 NIST
Inp 1048.00 NIST
Inp 1051.00 NIST
Inp 1045.00 NIST
Inp 1050.00 NIST
Inp 1050.00 NIST
Inp 1038.00 NIST
Inp 1050.00 NIST
Inp 1042.00 NIST
Inp 1046.00 NIST
Inp 1050.00 NIST
Inp 1038.00 NIST
Inp 1050.00 NIST
Inp 1056.00 NIST
Inp 1047.00 NIST
Inp 1038.00 NIST
Inp 1058.00 NIST
Inp 1058.00 NIST
Inp 1044.00 NIST
Inp 1037.00 NIST
Inp 1037.00 NIST
Inp 1047.00 NIST
Inp 1046.00 NIST
Inp 1037.00 NIST
Inp 1047.00 NIST
Inp 1043.00 NIST
Inp 1047.00 NIST
Inp 1036.00 NIST
Inp 1036.00 NIST
Inp 1039.00 NIST
Inp 1050.00 NIST
Inp 1050.00 NIST
Inp Outlier 1027.00 NIST
Inp Outlier 1027.00 NIST
Inp 1052.00 NIST
Inp 1053.00 NIST
Inp 1048.00 NIST
Inp 1048.00 NIST
Inp 1048.00 NIST
Inp 1041.00 NIST
Inp 1050.00 NIST
Inp 1046.00 NIST
Inp Outlier 1027.00 NIST
Inp 1047.00 NIST
Inp 1046.00 NIST
Inp 1050.00 NIST
Inp 1050.00 NIST
Inp 1046.00 NIST
Inp 1037.00 NIST
Inp 1035.00 NIST
Inp 1047.00 NIST
Inp 1050.00 NIST
Inp Outlier 1027.00 NIST
Inp 1047.00 NIST
Inp 1050.00 NIST
Inp 1046.00 NIST
Inp 1050.00 NIST
Inp 1055.00 NIST
Inp 1050.00 NIST
Inp 1050.00 NIST
Inp 1057.00 NIST
Inp 1036.00 NIST
Inp 1045.00 NIST
Inp 1047.00 NIST
Inp 1047.00 NIST
Inp 1050.00 NIST
Inp Outlier 1027.00 NIST
Inp 1050.00 NIST
Inp 1051.00 NIST
Inp 1053.00 NIST
Inp 1036.00 NIST
Inp 1052.00 NIST
Inp 1050.00 NIST
Inp 1040.00 NIST
Inp 1051.00 NIST
Inp Outlier 1027.00 NIST
Inp 1040.00 NIST
Inp 1048.00 NIST
Inp 1050.00 NIST
Inp 1045.00 NIST
Inp 1046.00 NIST
Inp 1050.00 NIST
Inp 1051.00 NIST
Inp 1050.00 NIST
Inp 1035.00 NIST
Inp 1051.00 NIST
Inp Outlier 1027.00 NIST
Inp 1050.00 NIST
Inp 1038.00 NIST
Inp Outlier 1027.00 NIST
Inp Outlier 1027.00 NIST
Inp 1038.00 NIST
Inp 1050.00 NIST
Inp 1050.00 NIST
Inp 1050.00 NIST
Inp 1051.00 NIST
Inp 1050.00 NIST
Inp 1031.00 NIST
Inp 1050.00 NIST
Inp 1036.00 NIST
Inp 1048.00 NIST
Inp 1048.00 NIST
Inp 1042.00 NIST
Inp Outlier 1027.00 NIST
Inp 1050.00 NIST
Inp 1050.00 NIST
Inp 1050.00 NIST
Inp 1052.00 NIST
Inp 1050.00 NIST
Inp 1036.00 NIST
Inp 1030.00 NIST
Inp 1049.00 NIST
Inp 1053.00 NIST
Inp Outlier 1027.00 NIST
Inp 1050.00 NIST
Inp 1050.00 NIST
Inp 1048.00 NIST
Inp 1049.00 NIST
Inp 1053.00 NIST
Inp 1048.00 NIST
Inp 1048.00 NIST
Inp 1041.00 NIST
Inp 1050.00 NIST
Inp 1045.00 NIST
Inp Outlier 1027.00 NIST
Inp 1050.00 NIST
Inp 1047.00 NIST
Inp 1043.00 NIST
Inp Outlier 1024.00 NIST
Inp 1037.00 NIST
Inp 1036.00 NIST
Inp Outlier 1027.00 NIST
Inp Outlier 1027.00 NIST
Inp 1038.00 NIST
Inp Outlier 1027.00 NIST
Inp 1040.00 NIST
Inp 1037.00 NIST
Inp Outlier 1027.00 NIST
Inp 1041.00 NIST
Inp 1058.00 NIST
Inp 1043.00 NIST
Inp Outlier 1027.00 NIST
Inp 1038.00 NIST
Inp 1041.00 NIST
Inp Outlier 1026.00 NIST
Inp 1038.00 NIST
Inp 1037.00 NIST
Inp 1037.00 NIST
Inp 1040.00 NIST
Inp 1040.00 NIST
Inp 1036.00 NIST
Inp 1037.00 NIST
Inp 1037.00 NIST
Inp 1038.00 NIST
Inp Outlier 1027.00 NIST
Inp 1048.00 NIST
Inp 1050.00 NIST
Inp 1038.00 NIST
Inp 1037.00 NIST
Inp 1043.00 NIST
Inp 1053.00 NIST
Inp 1047.00 NIST
Inp 1046.00 NIST
Inp 1057.00 NIST
Inp 1036.00 NIST
Inp 1051.00 NIST
Inp 1030.00 NIST
Inp 1040.00 NIST
Inp 1049.00 NIST
Inp 1041.00 NIST
Inp 1045.00 NIST
Inp 1044.00 NIST
Inp 1035.00 NIST
Inp 1034.00 NIST
Inp 1052.00 NIST
Inp Outlier 1017.00 NIST
Inp Outlier 1016.00 NIST
Inp 1039.00 NIST
Inp 1054.00 NIST
Inp 1058.00 NIST
Inp Outlier 1092.00 NIST
Inp 1042.00 NIST
Inp 1046.90 NIST
Inp Outlier 1067.00 NIST
Inp 1056.00 NIST
Inp 1033.00 NIST
Inp Outlier 1026.00 NIST
I [1200.00; 1290.00]   Show Hide
I 1244.00 NIST
I 1241.70 NIST
I 1240.10 NIST
I 1257.00 NIST
I 1273.00 NIST
I 1257.00 NIST
I 1250.00 NIST
I 1242.00 NIST
I 1250.00 NIST
I 1244.00 NIST
I 1250.00 NIST
I 1243.00 NIST
I 1253.00 NIST
I 1261.00 NIST
I 1252.00 NIST
I 1254.00 NIST
I 1250.00 NIST
I 1246.00 NIST
I 1258.00 NIST
I 1255.00 NIST
I 1255.00 NIST
I 1252.00 NIST
I 1255.00 NIST
I 1258.00 NIST
I 1250.00 NIST
I 1250.00 NIST
I 1251.00 NIST
I 1262.00 NIST
I 1255.00 NIST
I 1247.00 NIST
I 1250.00 NIST
I 1249.00 NIST
I 1248.00 NIST
I 1254.00 NIST
I 1247.00 NIST
I 1255.00 NIST
I 1251.00 NIST
I 1249.00 NIST
I 1232.00 NIST
I 1251.00 NIST
I 1253.00 NIST
I 1251.00 NIST
I 1237.00 NIST
I 1240.00 NIST
I 1246.00 NIST
I 1244.00 NIST
I 1254.00 NIST
I Outlier 1286.00 NIST
I Outlier 1225.00 NIST
I 1250.00 NIST
I 1239.00 NIST
I 1253.00 NIST
I 1253.00 NIST
I 1251.00 NIST
I 1253.00 NIST
I 1241.00 NIST
I 1242.00 NIST
I 1251.00 NIST
I 1251.00 NIST
I 1242.00 NIST
I 1250.00 NIST
I 1260.00 NIST
I 1232.00 NIST
I 1245.00 NIST
I 1240.00 NIST
I 1251.00 NIST
I 1235.00 NIST
I 1247.00 NIST
I 1242.00 NIST
I 1244.00 NIST
I 1235.00 NIST
I 1241.00 NIST
I 1241.00 NIST
I 1239.00 NIST
I 1245.00 NIST
I 1239.00 NIST
I 1244.00 NIST
I 1248.00 NIST
I 1256.00 NIST
I 1241.00 NIST
I 1245.00 NIST
I 1244.00 NIST
I 1245.00 NIST
I 1240.00 NIST
I 1254.00 NIST
I 1254.00 NIST
I 1254.00 NIST
I 1240.00 NIST
I 1260.00 NIST
I 1246.00 NIST
I 1254.00 NIST
I 1245.00 NIST
I 1245.00 NIST
I 1239.00 NIST
I 1254.00 NIST
I 1239.00 NIST
I 1259.00 NIST
I 1245.00 NIST
I 1245.00 NIST
I 1238.00 NIST
I 1266.00 NIST
I 1251.00 NIST
I 1254.00 NIST
I 1254.00 NIST
I 1254.00 NIST
I 1241.00 NIST
I 1235.00 NIST
I 1265.00 NIST
I 1254.00 NIST
I 1254.00 NIST
I 1242.00 NIST
I 1257.00 NIST
I 1255.00 NIST
I 1252.00 NIST
I 1242.00 NIST
I 1270.00 NIST
I 1276.00 NIST
I 1276.00 NIST
I Outlier 1222.00 NIST
I 1253.00 NIST
I 1233.00 NIST
I 1234.00 NIST
I Outlier 1219.00 NIST
I 1250.00 NIST
I 1250.00 NIST
I Outlier 1200.00 NIST
I 1240.00 NIST
I 1243.00 NIST
I 1240.00 NIST
I 1239.00 NIST
I 1244.00 NIST
I 1256.00 NIST
I 1256.00 NIST
I Outlier 1200.00 NIST
I Outlier 1200.00 NIST
I 1249.00 NIST
I Outlier 1200.00 NIST
I 1251.00 NIST
I 1239.00 NIST
I 1246.00 NIST
I 1250.00 NIST
I 1250.00 NIST
I 1259.00 NIST
I 1258.00 NIST
I 1266.00 NIST
I 1237.00 NIST
I Outlier 1224.00 NIST
I 1250.00 NIST
I 1247.00 NIST
I 1250.00 NIST
I 1250.00 NIST
I 1239.00 NIST
I 1252.00 NIST
I 1266.00 NIST
I 1251.00 NIST
I 1257.00 NIST
I 1262.00 NIST
I Outlier 1209.00 NIST
I 1263.00 NIST
I 1249.00 NIST
I 1267.00 NIST
I 1257.00 NIST
I 1254.00 NIST
I 1249.00 NIST
I 1251.00 NIST
I 1250.00 NIST
I 1250.00 NIST
I 1250.00 NIST
I 1247.00 NIST
I 1247.00 NIST
I 1275.00 NIST
I 1247.00 NIST
I 1258.00 NIST
I 1252.00 NIST
I 1267.00 NIST
I 1257.00 NIST
I 1259.00 NIST
I 1228.00 NIST
I 1252.00 NIST
I 1251.00 NIST
I 1235.00 NIST
I 1267.00 NIST
I 1250.00 NIST
I 1263.00 NIST
I 1254.00 NIST
I 1257.00 NIST
I Outlier 1290.00 NIST
I 1244.00 NIST
I 1226.00 NIST
I 1254.00 NIST
I 1250.00 NIST
I 1250.00 NIST
I Outlier 1208.00 NIST
I 1266.00 NIST
I 1250.00 NIST
I 1264.00 NIST
I 1248.00 NIST
I 1240.00 NIST
I 1250.00 NIST
I 1248.00 NIST
I 1250.00 NIST
I 1252.00 NIST
I 1249.00 NIST
I 1250.00 NIST
I 1250.00 NIST
I 1249.00 NIST
I 1240.00 NIST
I 1243.00 NIST
I 1255.00 NIST
I 1251.00 NIST
I 1243.00 NIST
I 1250.00 NIST
I 1249.00 NIST
I 1255.00 NIST
I 1252.00 NIST
I 1258.00 NIST
I 1241.00 NIST
I 1255.00 NIST
I 1251.00 NIST
I 1257.00 NIST
I 1250.00 NIST
I 1245.00 NIST
I 1247.00 NIST
I 1250.00 NIST
I 1245.00 NIST
I 1260.00 NIST
I 1260.00 NIST
I Outlier 1287.00 NIST
I 1250.00 NIST
I 1250.00 NIST
I 1243.00 NIST
I 1251.00 NIST
I 1259.00 NIST
I 1249.00 NIST
I 1266.00 NIST
I 1246.00 NIST
I 1246.00 NIST
I 1246.00 NIST
I 1247.00 NIST
I 1247.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1250.00 NIST
I 1249.00 NIST
I Outlier 1277.00 NIST
I 1235.00 NIST
I 1271.00 NIST
I 1243.00 NIST
I 1256.00 NIST
I 1238.00 NIST
I 1266.00 NIST
I 1254.00 NIST
I 1254.00 NIST
I 1266.00 NIST
I 1271.00 NIST
I 1271.00 NIST
I 1271.00 NIST
I 1271.00 NIST
I 1245.00 NIST
I 1254.00 NIST
I 1247.00 NIST
I 1258.00 NIST
I 1246.00 NIST
I 1250.00 NIST
I 1250.00 NIST
I 1252.00 NIST
I 1276.00 NIST
I 1276.00 NIST
I 1238.40 NIST
I 1258.00 NIST
I 1267.00 NIST
I 1265.00 NIST
I 1245.00 NIST
I 1241.00 NIST
I 1243.00 NIST
I 1268.00 NIST
I 1250.00 NIST
I 1256.00 NIST
I 1250.00 NIST
I 1250.00 NIST
I 1248.00 NIST
I 1250.00 NIST
I Outlier 1219.00 NIST
I 1235.00 NIST
I 1266.00 NIST
I 1241.00 NIST
I 1266.00 NIST
I 1252.00 NIST
I 1266.00 NIST
I 1250.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1260.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I Outlier 1200.00 NIST
I 1241.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1258.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1249.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1250.00 NIST
I 1235.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1247.00 NIST
I 1266.00 NIST
I 1265.00 NIST
I 1266.00 NIST
I 1232.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1228.00 NIST
I 1252.00 NIST
I 1266.00 NIST
I 1266.00 NIST
I 1233.00 NIST
I 1249.00 NIST
I 1250.00 NIST
I 1246.00 NIST
I 1227.00 NIST
I 1243.00 NIST
I 1251.00 NIST
I 1252.00 NIST
I 1252.00 NIST
I 1259.00 NIST
I 1254.00 NIST
I 1240.00 NIST
I 1249.00 NIST
I 1266.00 NIST
I 1250.00 NIST
I 1258.00 NIST
I 1247.00 NIST
I 1266.00 NIST
I 1263.00 NIST
I 1249.00 NIST
I 1252.00 NIST
I 1226.00 NIST
I 1250.00 NIST
I 1255.00 NIST
I 1251.00 NIST
I 1256.00 NIST
I 1245.00 NIST
I 1238.40 NIST
I 1241.00 NIST
I 1235.00 NIST
I 1244.00 NIST
I 1246.00 NIST
I 1253.00 NIST
I 1242.00 NIST
I 1240.00 NIST
I 1254.00 NIST
I 1238.00 NIST
Tboil 432.96 K Joback Calculated Property
Tc 622.27 K Joback Calculated Property
Tfus 162.62 K Joback Calculated Property
Vc 0.538 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [268.68; 345.84] J/mol×K [432.96; 622.27] Show Hide
Cp,gas 268.68 J/mol×K 432.96 Joback Calculated Property
Cp,gas 283.41 J/mol×K 464.51 Joback Calculated Property
Cp,gas 297.33 J/mol×K 496.06 Joback Calculated Property
Cp,gas 310.50 J/mol×K 527.62 Joback Calculated Property
Cp,gas 322.94 J/mol×K 559.17 Joback Calculated Property
Cp,gas 334.71 J/mol×K 590.72 Joback Calculated Property
Cp,gas 345.84 J/mol×K 622.27 Joback Calculated Property

Similar Compounds

1,3,6-Octatriene, 3,7-dimethyl-, (Z)-. Octane, 2,6-dimethyl-, hexadehydro deriv.. «beta»-Ocimene. 1,3,5-Cycloheptatriene, methyl. 2,4-Heptadiene, 2,4-dimethyl-. ( Z, Z)-farnesene. 2-Methyl-1,3-cyclopentadiene. 1,4-Hexadiene, 5-methyl-. Ocimenone. (Z)-2,6-Dimethylocta-2,5,7-trien-4-one. cis-Tagetenone. (E)-2,6-Dimethylocta-2,5,7-trien-4-one. 1,3-Pentadiene, 3-methyl-. 1,3-Pentadiene, 3-methyl-, (Z)-. 1,3-Pentadiene, 3-methyl-, (Z)-.

Find more compounds similar to trans-«beta»-Ocimene.

Sources

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