Chemical Properties of Bicycloelemene (CAS 32531-56-9)

InChI

InChI=1S/C15H24/c1-7-15(6)9-8-11-13(14(11,4)5)12(15)10(2)3/h7,11-13H,1-2,8-9H2,3-6H3/t11-,12+,13-,15+/m1/s1

InChI Key

LKQMMFFQYMYQOJ-COMQUAJESA-N

Formula

C15H24

SMILES

C=CC1(C)CCC2C(C1C(=C)C)C2(C)C

Molecular Weight¹

204.35

CAS

32531-56-9

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.52	kJ/mol	Joback Calculated Property
logPoct/wat	4.437		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Inp	[1316.00; 1346.00]
Inp	Outlier 1316.00		NIST
Inp	1334.00		NIST
Inp	1334.00		NIST
Inp	Outlier 1318.00		NIST
Inp	1336.00		NIST
Inp	1338.00		NIST
Inp	1341.00		NIST
Inp	1334.00		NIST
Inp	1345.00		NIST
Inp	1328.00		NIST
Inp	1336.00		NIST
Inp	1343.00		NIST
Inp	1331.00		NIST
Inp	1334.00		NIST
Inp	1328.00		NIST
Inp	1328.00		NIST
Inp	1338.00		NIST
Inp	1328.00		NIST
Inp	1338.00		NIST
Inp	1330.00		NIST
Inp	1340.00		NIST
Inp	1326.00		NIST
Inp	1341.00		NIST
Inp	1335.00		NIST
Inp	1336.00		NIST
Inp	1338.00		NIST
Inp	1336.00		NIST
Inp	1330.00		NIST
Inp	1338.00		NIST
Inp	1335.00		NIST
Inp	1334.00		NIST
Inp	1346.00		NIST
Inp	Outlier 1316.00		NIST
I	[1471.00; 1495.00]
I	1481.00		NIST
I	Outlier 1471.00		NIST
I	1478.00		NIST
I	1481.00		NIST
I	1478.00		NIST
I	1484.00		NIST
I	1484.00		NIST
I	1484.00		NIST
I	1484.00		NIST
I	1484.00		NIST
I	1482.00		NIST
I	1484.00		NIST
I	1484.00		NIST
I	1484.00		NIST
I	1484.00		NIST
I	1484.00		NIST
I	1490.00		NIST
I	1485.00		NIST
I	Outlier 1471.00		NIST
I	1480.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1484.00		NIST
I	Outlier 1472.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1495.00		NIST
I	1487.00		NIST
I	1495.00		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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[493.16; 608.76]	J/mol×K	[540.26; 752.17]
Cp,gas	493.16	J/mol×K	540.26	Joback Calculated Property
Cp,gas	515.43	J/mol×K	575.58	Joback Calculated Property
Cp,gas	536.19	J/mol×K	610.90	Joback Calculated Property
Cp,gas	555.67	J/mol×K	646.21	Joback Calculated Property
Cp,gas	574.10	J/mol×K	681.53	Joback Calculated Property
Cp,gas	591.72	J/mol×K	716.85	Joback Calculated Property
Cp,gas	608.76	J/mol×K	752.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicycloelemene.

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
• 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.
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