Chemical Properties of Longifolene (CAS 475-20-7)

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

204.35

CAS

475-20-7

Other Names

• (+)-Longifolen
• (+)-Longifolene
• (-)-isolongifolene
• (2S,4aR)-1,1,5,5-tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalene
• (2S,4aR)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene
• 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»)]-
• D-longifolene
• Junipen
• Junipene
• Kuromatsuen
• Kuromatsuene
• Longifolen
• Longifolene (=Junipene)
• [1S-(1«alpha»,3a«beta»,4«alpha»,8a«beta»)]-decahydro-4,8,8-trimethyl-9-methylene-1,4-methanoazulene
• «alpha»-Longifolene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	260.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-72.81	kJ/mol	Joback Calculated Property
ΔfusH°	13.20	kJ/mol	Joback Calculated Property
ΔvapH°	46.31	kJ/mol	Joback Calculated Property
log10WS	-4.43		Crippen Calculated Property
logPoct/wat	4.415		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	2113.89	kPa	Joback 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
I	[1557.00; 1623.00]
I	Outlier 1622.00		NIST
I	Outlier 1622.00		NIST
I	Outlier 1620.00		NIST
I	1619.00		NIST
I	1600.00		NIST
I	1600.00		NIST
I	1590.00		NIST
I	1587.00		NIST
I	1590.00		NIST
I	1583.00		NIST
I	1577.00		NIST
I	1569.00		NIST
I	1562.00		NIST
I	1557.00		NIST
I	1574.00		NIST
I	1580.00		NIST
I	1574.00		NIST
I	1608.00		NIST
I	1575.00		NIST
I	1574.00		NIST
I	1576.00		NIST
I	1568.00		NIST
I	1565.00		NIST
I	1577.00		NIST
I	1566.00		NIST
I	1577.00		NIST
I	1577.00		NIST
I	1576.00		NIST
I	1583.00		NIST
I	1574.00		NIST
I	1570.00		NIST
I	1574.00		NIST
I	1574.00		NIST
I	1595.00		NIST
I	1565.00		NIST
I	Outlier 1623.00		NIST
I	1587.00		NIST
I	1583.00		NIST
I	1568.00		NIST
Tboil	561.66	K	Joback Calculated Property
Tc	785.91	K	Joback Calculated Property
Tfus	358.59	K	Joback Calculated Property
Vc	0.709	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.94; 623.10]	J/mol×K	[561.66; 785.91]
Cp,gas	501.94	J/mol×K	561.66	Joback Calculated Property
Cp,gas	525.20	J/mol×K	599.03	Joback Calculated Property
Cp,gas	546.85	J/mol×K	636.41	Joback Calculated Property
Cp,gas	567.18	J/mol×K	673.78	Joback Calculated Property
Cp,gas	586.48	J/mol×K	711.16	Joback Calculated Property
Cp,gas	605.02	J/mol×K	748.53	Joback Calculated Property
Cp,gas	623.10	J/mol×K	785.91	Joback Calculated Property
ΔvapH	62.60	kJ/mol	298.15	Vapor p...

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Longifolene.

Sources

• 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

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.