Chemical Properties of Cubenene (CAS 29837-12-5)

InChI

InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h7,9-10,12-13,15H,5-6,8H2,1-4H3/t12-,13?,15?/m1/s1

InChI Key

JUQGWBAOQUBVFP-DNOWBOINSA-N

Formula

C15H24

SMILES

CC1=CC2C(=CC1)C(C)CCC2C(C)C

Molecular Weight¹

204.35

CAS

29837-12-5

Other Names

• Cadina-1,4-diene, cis
• Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)-, [1S-(1«alpha»,4«alpha»,4a«alpha»)]-
• (1S,4S,4aR)-4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7-hexahydronaphthalene
• Cadina-1,4-diene
• 4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7-hexahydronaphthalene-, [1S-(1«alpha»,4«alpha»,4a«alpha»)]-
• Cadina-1(2),4-diene
• Cadina-1,4-diene (= cubenene)
• cadina-1,4-diene (cubenene)
• Cadina-1,4-diene (=Cubinene)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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_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°	179.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-164.97	kJ/mol	Joback Calculated Property
ΔfusH°	21.69	kJ/mol	Joback Calculated Property
ΔvapH°	50.71	kJ/mol	Joback Calculated Property
log10WS	-4.63		Crippen Calculated Property
logPoct/wat	4.581		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	1921.98	kPa	Joback Calculated Property
Inp	[1502.00; 1553.00]
Inp	Outlier 1552.00		NIST
Inp	1522.00		NIST
Inp	Outlier 1512.00		NIST
Inp	Outlier 1513.00		NIST
Inp	1533.00		NIST
Inp	1528.00		NIST
Inp	1535.00		NIST
Inp	1532.00		NIST
Inp	1526.00		NIST
Inp	1532.00		NIST
Inp	1530.00		NIST
Inp	1539.00		NIST
Inp	1531.00		NIST
Inp	1525.00		NIST
Inp	1530.00		NIST
Inp	1531.00		NIST
Inp	1532.00		NIST
Inp	1533.00		NIST
Inp	1532.00		NIST
Inp	Outlier 1514.00		NIST
Inp	1526.00		NIST
Inp	1542.00		NIST
Inp	1533.00		NIST
Inp	1532.00		NIST
Inp	1532.00		NIST
Inp	1529.00		NIST
Inp	1517.00		NIST
Inp	Outlier 1502.00		NIST
Inp	1534.00		NIST
Inp	1531.00		NIST
Inp	1531.00		NIST
Inp	1525.00		NIST
Inp	1515.00		NIST
Inp	1532.00		NIST
Inp	1533.00		NIST
Inp	1535.00		NIST
Inp	1533.00		NIST
Inp	1538.00		NIST
Inp	1531.00		NIST
Inp	1515.00		NIST
Inp	1532.00		NIST
Inp	1532.00		NIST
Inp	1521.00		NIST
Inp	1530.00		NIST
Inp	1532.00		NIST
Inp	1523.00		NIST
Inp	1536.00		NIST
Inp	1531.00		NIST
Inp	1542.00		NIST
Inp	1528.00		NIST
Inp	1533.00		NIST
Inp	1532.00		NIST
Inp	1532.00		NIST
Inp	Outlier 1503.00		NIST
Inp	1532.00		NIST
Inp	1523.00		NIST
Inp	1523.00		NIST
Inp	1536.00		NIST
Inp	1532.00		NIST
Inp	1532.00		NIST
Inp	1527.00		NIST
Inp	1531.00		NIST
Inp	1531.00		NIST
Inp	1517.00		NIST
Inp	1529.00		NIST
Inp	1527.00		NIST
Inp	1534.00		NIST
Inp	1531.00		NIST
Inp	1515.00		NIST
Inp	1525.00		NIST
Inp	1531.00		NIST
Inp	1534.00		NIST
Inp	1532.00		NIST
Inp	1532.00		NIST
Inp	1532.00		NIST
Inp	1531.00		NIST
Inp	1542.00		NIST
Inp	1529.00		NIST
Inp	Outlier 1553.00		NIST
Inp	1520.00		NIST
Inp	1542.00		NIST
Inp	1532.00		NIST
Inp	1532.00		NIST
Inp	1534.00		NIST
Inp	1528.00		NIST
Inp	1529.00		NIST
Inp	1532.00		NIST
Inp	1541.00		NIST
Inp	1523.00		NIST
Inp	1515.00		NIST
Inp	1527.00		NIST
Inp	1524.00		NIST
Inp	Outlier 1548.00		NIST
Inp	1531.00		NIST
Inp	1533.00		NIST
Inp	1537.00		NIST
Inp	1531.00		NIST
Inp	Outlier 1506.00		NIST
Inp	1523.00		NIST
Inp	1532.00		NIST
Inp	1532.00		NIST
Inp	Outlier 1512.00		NIST
Inp	1529.00		NIST
Inp	1533.00		NIST
Inp	1533.00		NIST
Inp	1533.00		NIST
Inp	1527.00		NIST
Inp	1532.00		NIST
Inp	1528.00		NIST
Inp	1527.00		NIST
Inp	1532.00		NIST
Inp	1524.00		NIST
Inp	1534.00		NIST
Inp	1532.00		NIST
Inp	1516.00		NIST
Inp	1535.00		NIST
Inp	1533.00		NIST
Inp	1535.00		NIST
Inp	1535.00		NIST
Inp	1531.00		NIST
Inp	1532.00		NIST
Inp	1527.00		NIST
Inp	1528.00		NIST
Inp	1531.00		NIST
Inp	1530.00		NIST
Inp	1530.00		NIST
Inp	1532.00		NIST
Inp	1527.00		NIST
Inp	1524.00		NIST
Inp	1515.00		NIST
Inp	1530.00		NIST
Inp	1518.00		NIST
Inp	1518.00		NIST
Inp	1529.00		NIST
Inp	1532.00		NIST
Inp	1533.00		NIST
Inp	1534.00		NIST
Inp	1528.00		NIST
Inp	1534.00		NIST
Inp	1535.00		NIST
Inp	1533.00		NIST
Inp	1535.00		NIST
Inp	1533.00		NIST
Inp	1533.00		NIST
Inp	1532.00		NIST
Inp	1532.00		NIST
Inp	1533.00		NIST
Inp	1532.00		NIST
Inp	1532.00		NIST
Inp	1532.00		NIST
Inp	1533.00		NIST
Inp	1531.00		NIST
Inp	1519.00		NIST
Inp	1521.00		NIST
Inp	1538.00		NIST
Inp	1532.00		NIST
Inp	1515.00		NIST
Inp	1531.00		NIST
Inp	1529.00		NIST
Inp	1518.00		NIST
Inp	1531.00		NIST
Inp	1529.00		NIST
Inp	1534.00		NIST
Inp	1533.00		NIST
Inp	1532.00		NIST
Inp	1521.00		NIST
I	[1742.00; 1825.00]
I	Outlier 1742.00		NIST
I	1769.00		NIST
I	1785.00		NIST
I	1768.00		NIST
I	1773.00		NIST
I	1755.00		NIST
I	1773.00		NIST
I	1773.00		NIST
I	1773.00		NIST
I	1773.00		NIST
I	1773.00		NIST
I	1786.00		NIST
I	1773.00		NIST
I	1773.00		NIST
I	1773.00		NIST
I	1773.00		NIST
I	Outlier 1825.00		NIST
I	1763.00		NIST
I	1769.00		NIST
I	1778.00		NIST
I	1781.00		NIST
I	1779.00		NIST
I	1778.00		NIST
I	1757.00		NIST
I	1778.00		NIST
I	1776.00		NIST
I	1757.00		NIST
I	1799.00		NIST
I	1786.00		NIST
I	1782.00		NIST
I	1778.00		NIST
I	1797.00		NIST
I	1793.00		NIST
I	1810.00		NIST
I	1813.00		NIST
I	1794.00		NIST
I	1800.00		NIST
I	1810.00		NIST
I	1810.00		NIST
I	1810.00		NIST
I	1810.00		NIST
I	1810.00		NIST
I	1810.00		NIST
I	1773.00		NIST
I	1788.00		NIST
I	1802.00		NIST
I	1786.00		NIST
I	1786.00		NIST
I	1793.00		NIST
I	1799.00		NIST
I	1799.00		NIST
I	1799.00		NIST
I	1811.00		NIST
I	1799.00		NIST
I	1783.00		NIST
I	1799.00		NIST
I	1799.00		NIST
I	1799.00		NIST
I	1799.00		NIST
I	1797.00		NIST
I	1799.00		NIST
I	1799.00		NIST
I	1797.00		NIST
I	1797.00		NIST
I	1793.00		NIST
I	1799.00		NIST
I	1797.00		NIST
Tboil	576.33	K	Joback Calculated Property
Tc	791.72	K	Joback Calculated Property
Tfus	287.93	K	Joback Calculated Property
Vc	0.723	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.29; 621.19]	J/mol×K	[576.33; 791.72]
Cp,gas	503.29	J/mol×K	576.33	Joback Calculated Property
Cp,gas	526.08	J/mol×K	612.23	Joback Calculated Property
Cp,gas	547.54	J/mol×K	648.13	Joback Calculated Property
Cp,gas	567.74	J/mol×K	684.03	Joback Calculated Property
Cp,gas	586.71	J/mol×K	719.93	Joback Calculated Property
Cp,gas	604.51	J/mol×K	755.83	Joback Calculated Property
Cp,gas	621.19	J/mol×K	791.72	Joback Calculated Property
η	[0.0003401; 0.0020754]	Pa×s	[287.93; 576.33]
η	0.0020754	Pa×s	287.93	Joback Calculated Property
η	0.0012375	Pa×s	336.00	Joback Calculated Property
η	0.0008398	Pa×s	384.06	Joback Calculated Property
η	0.0006213	Pa×s	432.13	Joback Calculated Property
η	0.0004882	Pa×s	480.20	Joback Calculated Property
η	0.0004008	Pa×s	528.26	Joback Calculated Property
η	0.0003401	Pa×s	576.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cubenene.

Sources

• Crippen Method
• Crippen Method
• 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.