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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3191		Relay (1.0) Calculated Property
ΔfG°	317.84	kJ/mol	Joback Calculated Property
ΔfH°gas	17.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.52	kJ/mol	Joback Calculated Property
ΔvapH°	60.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-5.48		Relay (1.0) Calculated Property
logPoct/wat	4.437		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	1901.92	kPa	Joback 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
Tboil	509.15	K	Relay (1.0) Calculated Property
Tc	734.85	K	Relay (1.0) Calculated Property
Tfus	230.55	K	Relay (1.0) Calculated Property
Vc	0.653	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[493.03; 608.63]	J/mol×K	[540.06; 751.89]
Cp,gas	493.03	J/mol×K	540.06	Joback Calculated Property
Cp,gas	515.30	J/mol×K	575.36	Joback Calculated Property
Cp,gas	536.06	J/mol×K	610.67	Joback Calculated Property
Cp,gas	555.54	J/mol×K	645.97	Joback Calculated Property
Cp,gas	573.97	J/mol×K	681.28	Joback Calculated Property
Cp,gas	591.59	J/mol×K	716.58	Joback Calculated Property
Cp,gas	608.63	J/mol×K	751.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicycloelemene.

Sources

• Cheméo Relay (1.0)
• 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.