Chemical Properties of Ylangene (CAS 14912-44-8)

Ylangene

PDF Excel Molecule Calculator
InChI
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13?,14?,15-/m1/s1
InChI Key
VLXDPFLIRFYIME-XTLGRWLVSA-N
Formula
C15H24
SMILES
CC1=CCC2C3C(C(C)C)CCC2(C)C13
Molecular Weight1
204.35
CAS
14912-44-8
Other Names
  • Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl-, (1S,2R,6R,7R,8S)-(+)-
  • (1S,2R,6R,7R,8S)-8-Isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene
  • Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer
  • «alpha»-Ylangene
  • (+)-Ylangene
  • d-Ylangene
  • «alpha»-Yalangene
  • (+)-«alpha»-Ylangene
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.

Physical Properties

Property Value Unit Source
Δf 242.55 kJ/mol Joback Calculated Property
Δfgas -125.10 kJ/mol Joback Calculated Property
Δfus 20.07 kJ/mol Joback Calculated Property
Δvap 47.69 kJ/mol Joback Calculated Property
log10WS -4.19 Crippen Calculated Property
logPoct/wat 4.271 Crippen Calculated Property
McVol 185.330 ml/mol McGowan Calculated Property
Pc 2001.91 kPa Joback Calculated Property
Inp [1322.00; 1418.00]   Show Hide
Inp Outlier 1396.10 NIST
Inp 1373.00 NIST
Inp Outlier 1406.00 NIST
Inp 1382.00 NIST
Inp 1373.00 NIST
Inp 1372.00 NIST
Inp 1377.00 NIST
Inp 1384.00 NIST
Inp 1361.00 NIST
Inp 1352.00 NIST
Inp 1373.00 NIST
Inp Outlier 1350.00 NIST
Inp 1359.00 NIST
Inp 1369.00 NIST
Inp 1374.00 NIST
Inp 1373.00 NIST
Inp 1372.00 NIST
Inp 1362.00 NIST
Inp 1370.00 NIST
Inp 1372.00 NIST
Inp 1379.00 NIST
Inp 1364.00 NIST
Inp 1370.00 NIST
Inp 1370.00 NIST
Inp 1368.00 NIST
Inp 1372.00 NIST
Inp Outlier 1392.00 NIST
Inp 1370.00 NIST
Inp 1360.00 NIST
Inp 1368.00 NIST
Inp 1368.00 NIST
Inp 1370.00 NIST
Inp 1372.00 NIST
Inp 1373.00 NIST
Inp Outlier 1349.00 NIST
Inp 1363.00 NIST
Inp 1372.00 NIST
Inp 1375.00 NIST
Inp 1376.00 NIST
Inp 1358.00 NIST
Inp 1372.00 NIST
Inp 1353.00 NIST
Inp Outlier 1346.00 NIST
Inp 1373.00 NIST
Inp 1351.00 NIST
Inp 1372.00 NIST
Inp 1372.00 NIST
Inp 1371.00 NIST
Inp 1377.00 NIST
Inp 1367.00 NIST
Inp 1370.00 NIST
Inp 1371.00 NIST
Inp 1372.00 NIST
Inp 1371.00 NIST
Inp 1373.00 NIST
Inp 1372.00 NIST
Inp 1375.00 NIST
Inp 1372.00 NIST
Inp 1351.00 NIST
Inp 1366.00 NIST
Inp 1372.00 NIST
Inp 1374.00 NIST
Inp 1376.00 NIST
Inp 1368.00 NIST
Inp 1364.00 NIST
Inp 1373.00 NIST
Inp 1369.00 NIST
Inp Outlier 1342.00 NIST
Inp 1370.00 NIST
Inp 1371.00 NIST
Inp 1368.00 NIST
Inp 1370.00 NIST
Inp 1379.00 NIST
Inp 1371.00 NIST
Inp 1376.00 NIST
Inp 1355.00 NIST
Inp 1377.00 NIST
Inp 1375.00 NIST
Inp 1373.00 NIST
Inp Outlier 1322.00 NIST
Inp 1383.00 NIST
Inp 1386.00 NIST
Inp 1365.00 NIST
Inp 1365.00 NIST
Inp 1367.00 NIST
Inp 1370.00 NIST
Inp 1370.00 NIST
Inp 1373.00 NIST
Inp 1378.00 NIST
Inp 1374.00 NIST
Inp 1372.00 NIST
Inp 1364.00 NIST
Inp Outlier 1345.00 NIST
Inp 1375.00 NIST
Inp 1367.00 NIST
Inp 1375.00 NIST
Inp 1369.00 NIST
Inp 1376.00 NIST
Inp 1372.00 NIST
Inp 1370.00 NIST
Inp 1377.00 NIST
Inp 1375.00 NIST
Inp 1371.00 NIST
Inp 1368.00 NIST
Inp Outlier 1400.00 NIST
Inp 1372.00 NIST
Inp 1372.00 NIST
Inp 1361.00 NIST
Inp 1373.00 NIST
Inp 1370.00 NIST
Inp 1365.00 NIST
Inp 1372.00 NIST
Inp 1364.00 NIST
Inp 1368.00 NIST
Inp 1370.00 NIST
Inp 1376.00 NIST
Inp 1370.00 NIST
Inp 1366.00 NIST
Inp 1372.00 NIST
Inp 1371.00 NIST
Inp 1372.00 NIST
Inp 1371.00 NIST
Inp 1369.00 NIST
Inp 1368.00 NIST
Inp 1377.00 NIST
Inp 1367.00 NIST
Inp 1370.00 NIST
Inp Outlier 1418.00 NIST
Inp 1383.00 NIST
Inp 1360.00 NIST
Inp 1372.00 NIST
Inp 1370.00 NIST
Inp 1365.00 NIST
Inp 1368.00 NIST
Inp 1370.00 NIST
Inp 1374.00 NIST
Inp 1370.00 NIST
Inp Outlier 1347.00 NIST
Inp 1378.00 NIST
Inp 1378.00 NIST
Inp 1375.00 NIST
Inp 1375.00 NIST
Inp 1358.00 NIST
Inp 1370.00 NIST
Inp 1370.00 NIST
Inp 1355.00 NIST
Inp 1367.00 NIST
Inp 1358.00 NIST
Inp 1368.00 NIST
Inp 1356.00 NIST
Inp 1372.00 NIST
Inp 1372.00 NIST
Inp 1351.00 NIST
Inp 1375.00 NIST
Inp 1370.00 NIST
Inp 1375.00 NIST
Inp 1367.00 NIST
Inp 1375.00 NIST
Inp 1371.00 NIST
Inp 1373.00 NIST
Inp 1372.00 NIST
Inp 1375.00 NIST
Inp 1391.00 NIST
Inp 1372.00 NIST
Inp 1372.00 NIST
Inp 1368.00 NIST
Inp 1373.00 NIST
Inp 1373.00 NIST
Inp 1365.00 NIST
Inp 1371.00 NIST
Inp 1374.00 NIST
Inp 1373.00 NIST
Inp 1372.00 NIST
Inp 1372.00 NIST
Inp 1366.00 NIST
Inp 1372.00 NIST
Inp 1379.00 NIST
Inp 1374.00 NIST
Inp 1369.00 NIST
Inp Outlier 1415.00 NIST
Inp 1387.00 NIST
Inp 1357.00 NIST
Inp 1357.00 NIST
Inp 1373.00 NIST
Inp 1370.90 NIST
Inp 1363.00 NIST
Inp 1382.00 NIST
Inp 1368.00 NIST
Inp 1362.00 NIST
Inp 1368.00 NIST
Inp 1368.00 NIST
Inp 1385.00 NIST
Inp 1371.00 NIST
Inp 1381.00 NIST
Inp 1371.00 NIST
Inp 1375.00 NIST
Inp Outlier 1394.00 NIST
Inp 1372.00 NIST
Inp Outlier 1396.00 NIST
Inp 1371.00 NIST
Inp 1373.00 NIST
Inp 1375.00 NIST
Inp 1376.00 NIST
Inp Outlier 1394.00 NIST
Inp 1373.00 NIST
Inp 1370.00 NIST
Inp Outlier 1346.00 NIST
Inp 1375.00 NIST
Inp 1366.00 NIST
Inp 1375.00 NIST
Inp 1366.00 NIST
Inp 1370.00 NIST
Inp 1375.00 NIST
Inp 1375.00 NIST
Inp 1363.00 NIST
Inp 1372.00 NIST
Inp 1372.00 NIST
Inp 1354.00 NIST
Inp 1376.00 NIST
Inp 1372.00 NIST
Inp 1373.00 NIST
Inp 1375.00 NIST
Inp 1371.00 NIST
Inp 1372.00 NIST
Inp 1372.00 NIST
Inp 1375.00 NIST
Inp Outlier 1398.00 NIST
Inp 1372.00 NIST
Inp 1370.00 NIST
Inp 1372.00 NIST
Inp 1351.00 NIST
Inp 1372.00 NIST
Inp 1370.00 NIST
Inp 1377.00 NIST
Inp 1375.00 NIST
Inp 1362.00 NIST
Inp 1375.00 NIST
Inp 1372.00 NIST
Inp 1380.00 NIST
Inp 1372.00 NIST
Inp 1363.00 NIST
Inp 1356.00 NIST
Inp 1357.00 NIST
Inp 1373.00 NIST
Inp 1371.00 NIST
Inp 1371.00 NIST
Inp 1377.00 NIST
Inp 1371.00 NIST
Inp 1364.00 NIST
Inp 1374.00 NIST
Inp 1369.00 NIST
Inp 1377.00 NIST
Inp 1386.00 NIST
Inp 1373.00 NIST
Inp Outlier 1350.00 NIST
Inp 1372.00 NIST
Inp 1364.00 NIST
Inp Outlier 1396.10 NIST
I [1450.00; 1523.00]   Show Hide
I Outlier 1523.00 NIST
I Outlier 1523.00 NIST
I 1460.00 NIST
I 1467.00 NIST
I 1491.00 NIST
I 1483.00 NIST
I 1489.00 NIST
I 1492.00 NIST
I 1481.00 NIST
I 1472.00 NIST
I 1470.00 NIST
I 1488.00 NIST
I 1465.00 NIST
I 1502.00 NIST
I 1476.00 NIST
I 1470.00 NIST
I 1488.00 NIST
I 1467.00 NIST
I 1467.00 NIST
I 1494.00 NIST
I 1499.00 NIST
I 1465.00 NIST
I 1458.00 NIST
I 1493.00 NIST
I 1483.00 NIST
I 1485.00 NIST
I 1491.00 NIST
I 1490.00 NIST
I 1479.00 NIST
I 1468.00 NIST
I 1491.00 NIST
I 1491.00 NIST
I 1490.00 NIST
I 1493.00 NIST
I 1492.00 NIST
I Outlier 1518.00 NIST
I 1482.00 NIST
I 1492.00 NIST
I 1491.00 NIST
I 1485.00 NIST
I 1471.00 NIST
I 1487.00 NIST
I 1480.00 NIST
I 1485.00 NIST
I 1491.00 NIST
I 1491.00 NIST
I Outlier 1450.00 NIST
I Outlier 1452.00 NIST
I 1493.00 NIST
I 1493.00 NIST
I 1493.00 NIST
I 1493.00 NIST
I 1493.00 NIST
I 1469.00 NIST
I 1493.00 NIST
I 1493.00 NIST
I 1493.00 NIST
I 1493.00 NIST
I 1493.00 NIST
I 1493.00 NIST
I 1493.00 NIST
I 1470.00 NIST
I 1493.00 NIST
I 1493.00 NIST
I 1493.00 NIST
I 1493.00 NIST
I 1492.00 NIST
I 1475.00 NIST
I 1482.00 NIST
I 1493.00 NIST
I 1469.00 NIST
I 1482.00 NIST
I 1458.00 NIST
I 1490.00 NIST
I 1492.00 NIST
I 1480.00 NIST
I Outlier 1452.00 NIST
I Outlier 1523.00 NIST
I 1460.00 NIST
Tboil 561.69 K Joback Calculated Property
Tc 775.53 K Joback Calculated Property
Tfus 322.81 K Joback Calculated Property
Vc 0.715 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [503.35; 620.07] J/mol×K [561.69; 775.53] Show Hide
Cp,gas 503.35 J/mol×K 561.69 Joback Calculated Property
Cp,gas 525.87 J/mol×K 597.33 Joback Calculated Property
Cp,gas 546.93 J/mol×K 632.97 Joback Calculated Property
Cp,gas 566.70 J/mol×K 668.61 Joback Calculated Property
Cp,gas 585.36 J/mol×K 704.25 Joback Calculated Property
Cp,gas 603.09 J/mol×K 739.89 Joback Calculated Property
Cp,gas 620.07 J/mol×K 775.53 Joback Calculated Property

Similar Compounds

«alpha»-Copaene. trans-«alpha»-Copaene. Tricyclo[5.4.0.0(2,8)]undec-9-ene, 2,6,6,9-tetramethyl-, (1R,2S,7R,8R)-. Tricyclo[5.4.0.0^2^,^8]undec-9-ene, 2,6,6,9-tetramethyl-. Longipinene. (E)-Longipinene. trans-«alpha»-Bergamotene. «alpha»-trans-«beta»-Bergamotene. cis-«alpha»-Bergamotene. Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-. cis-«alpha»-Bergamotene. 2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl). (1R,4aR,8aR)-2,5,5,8a-Tetramethyl-4,5,6,7,8,8a-hexahydro-1H-1,4a-methanonaphthalene, rel-. (1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene. «alpha»-Pinene.

Find more compounds similar to Ylangene.

Sources

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.