Chemical Properties of Longifolene

InChI

InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3

InChI Key

PDSNLYSELAIEBU-UHFFFAOYSA-N

Formula

C15H24

SMILES

C=C1C2CCC3C2C(C)(C)CCCC13C

Molecular Weight¹

204.36

Other Names

• (+)-Longifolen
• (+)-longifolene
• 1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-
• 1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-, (1S,3aR,4S,8aS)-
• 1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-, (1S,3aR,4S,8aS)-(+)-
• 1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-, [1S-(1«alpha»,3a«beta»,4«alpha»,8a«beta»)]-
• 1,4-methanoazulene, decahydro-4,8,8-trimethyl-9-methylene-,(1S,3aR,4S,8aS)-(+)-
• 1,4-methanoazulene, decahydro-4,8,8-trimethyl-9-methylne-, [1S-(1.alpha.,3a.beta.,4.alpha.,8a.beta.)-]-,
• Longifolene (=Junipene)
• [1S-(1.alpha.,3a.beta.,4.alpha.,8a.beta.)]-decahydro-9-methylene-4,8,8-trimethyl-1,4-methanoazulene
• [1S-(1«alpha»,3a«beta»,4«alpha»,8a«beta»)]-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene
• d-longifolene
• junipen
• junipene
• kuromatsuen
• kuromatsuene
• longifolen
• «alpha»-Longifolene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.20	kJ/mol	Joback Calculated Property
logPoct/wat	4.415		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Inp	[1380.00; 1455.00]
Inp	1427.00		NIST
Inp	1427.00		NIST
Inp	Outlier 1440.00		NIST
Inp	1404.00		NIST
Inp	1403.00		NIST
Inp	1398.00		NIST
Inp	1408.00		NIST
Inp	1402.00		NIST
Inp	1415.70		NIST
Inp	Outlier 1448.00		NIST
Inp	1402.00		NIST
Inp	1399.00		NIST
Inp	1402.00		NIST
Inp	1402.00		NIST
Inp	1418.00		NIST
Inp	1400.00		NIST
Inp	1395.00		NIST
Inp	1380.00		NIST
Inp	1405.00		NIST
Inp	1404.00		NIST
Inp	1386.00		NIST
Inp	Outlier 1450.00		NIST
Inp	1412.00		NIST
Inp	1387.00		NIST
Inp	1405.00		NIST
Inp	1432.00		NIST
Inp	1417.00		NIST
Inp	1407.60		NIST
Inp	1409.10		NIST
Inp	1412.60		NIST
Inp	1400.00		NIST
Inp	1409.00		NIST
Inp	1409.00		NIST
Inp	1408.00		NIST
Inp	1407.00		NIST
Inp	1414.00		NIST
Inp	1389.00		NIST
Inp	1415.00		NIST
Inp	1404.00		NIST
Inp	1404.00		NIST
Inp	1416.00		NIST
Inp	1404.00		NIST
Inp	1402.00		NIST
Inp	Outlier 1441.00		NIST
Inp	1406.00		NIST
Inp	1418.00		NIST
Inp	1388.00		NIST
Inp	1413.40		NIST
Inp	1398.00		NIST
Inp	1406.30		NIST
Inp	1389.60		NIST
Inp	1398.00		NIST
Inp	1414.00		NIST
Inp	1404.00		NIST
Inp	1411.00		NIST
Inp	1402.00		NIST
Inp	1402.00		NIST
Inp	1408.00		NIST
Inp	1430.00		NIST
Inp	1406.00		NIST
Inp	1409.00		NIST
Inp	1397.00		NIST
Inp	1401.00		NIST
Inp	1409.00		NIST
Inp	1403.00		NIST
Inp	1402.00		NIST
Inp	1405.00		NIST
Inp	1400.00		NIST
Inp	1415.00		NIST
Inp	1402.00		NIST
Inp	1398.00		NIST
Inp	1400.00		NIST
Inp	1395.00		NIST
Inp	1406.00		NIST
Inp	1398.00		NIST
Inp	1402.00		NIST
Inp	1418.00		NIST
Inp	Outlier 1444.00		NIST
Inp	Outlier 1437.00		NIST
Inp	1416.00		NIST
Inp	1386.00		NIST
Inp	1410.00		NIST
Inp	1393.00		NIST
Inp	1388.00		NIST
Inp	1404.00		NIST
Inp	1400.00		NIST
Inp	1409.00		NIST
Inp	1393.00		NIST
Inp	1380.00		NIST
Inp	1397.00		NIST
Inp	1401.00		NIST
Inp	1387.00		NIST
Inp	1401.00		NIST
Inp	1434.00		NIST
Inp	1408.00		NIST
Inp	1398.00		NIST
Inp	1388.00		NIST
Inp	1398.00		NIST
Inp	1413.00		NIST
Inp	1396.00		NIST
Inp	1380.00		NIST
Inp	1400.00		NIST
Inp	1401.00		NIST
Inp	1398.00		NIST
Inp	1398.00		NIST
Inp	1420.00		NIST
Inp	1412.00		NIST
Inp	1424.00		NIST
Inp	1404.00		NIST
Inp	1398.00		NIST
Inp	1409.00		NIST
Inp	1418.00		NIST
Inp	1405.00		NIST
Inp	1407.00		NIST
Inp	1402.00		NIST
Inp	1388.00		NIST
Inp	1411.00		NIST
Inp	1402.00		NIST
Inp	Outlier 1438.00		NIST
Inp	Outlier 1451.00		NIST
Inp	Outlier 1455.00		NIST
Inp	1408.00		NIST
Inp	1407.00		NIST
Inp	Outlier 1447.00		NIST
Inp	1405.00		NIST
Inp	1408.00		NIST
Inp	1408.00		NIST
Inp	1389.00		NIST
Inp	1408.00		NIST
Inp	1384.00		NIST
Inp	1416.00		NIST
Inp	1400.00		NIST
Inp	1423.00		NIST
Inp	1409.00		NIST
Inp	1399.00		NIST
Inp	1413.00		NIST
Inp	1402.00		NIST
Inp	1404.00		NIST
Inp	1412.00		NIST
Inp	1407.60		NIST
Inp	1409.00		NIST
Inp	1415.00		NIST
Inp	1402.00		NIST
Ip	[1557.00; 1623.00]
Ip	Outlier 1622.00		NIST
Ip	Outlier 1622.00		NIST
Ip	Outlier 1620.00		NIST
Ip	Outlier 1619.00		NIST
Ip	1600.00		NIST
Ip	1600.00		NIST
Ip	1590.00		NIST
Ip	1587.00		NIST
Ip	1590.00		NIST
Ip	1583.00		NIST
Ip	1577.00		NIST
Ip	1569.00		NIST
Ip	1562.00		NIST
Ip	1557.00		NIST
Ip	1574.00		NIST
Ip	1580.00		NIST
Ip	1574.00		NIST
Ip	1608.00		NIST
Ip	1575.00		NIST
Ip	1574.00		NIST
Ip	1576.00		NIST
Ip	1568.00		NIST
Ip	1565.00		NIST
Ip	1577.00		NIST
Ip	1566.00		NIST
Ip	1577.00		NIST
Ip	1577.00		NIST
Ip	1576.00		NIST
Ip	1583.00		NIST
Ip	1574.00		NIST
Ip	1570.00		NIST
Ip	1574.00		NIST
Ip	1574.00		NIST
Ip	1595.00		NIST
Ip	1565.00		NIST
Ip	Outlier 1623.00		NIST
Ip	1587.00		NIST
Ip	1583.00		NIST
Ip	1568.00		NIST
Ip	1574.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[236.76; 732.03]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.37530e+02
Coefficient B			2.27566e+00
Coefficient C			-2.22200e-03
Coefficient D			9.15900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	236.76	J/mol×K	273.00	Calculated Property
Cp,gas	330.00	J/mol×K	353.78	Calculated Property
Cp,gas	406.93	J/mol×K	434.56	Calculated Property
Cp,gas	470.45	J/mol×K	515.33	Calculated Property
Cp,gas	523.44	J/mol×K	596.11	Calculated Property
Cp,gas	568.82	J/mol×K	676.89	Calculated Property
Cp,gas	609.47	J/mol×K	757.67	Calculated Property
Cp,gas	648.29	J/mol×K	838.44	Calculated Property
Cp,gas	688.18	J/mol×K	919.22	Calculated Property
Cp,gas	732.03	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Longifolene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Vapor pressure and vaporization enthalpy studies of (+)-longifolene, (-)-isolongifolene and beta-myrcene by correlation gas chromatography
• Joback Method
• McGowan Method
• NIST Webbook

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