Chemical Properties of 1H,3a,7-Methanoazulene-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl, [3R«alpha»,3a«beta»,7«beta»,8a«alpha»)

InChI

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

InChI Key

IRAQOCYXUMOFCW-OSFYFWSMSA-N

Formula

C15H24

SMILES

CC1=CCC23CC1C(C)(C)C2CCC3C

Molecular Weight¹

204.35

Other Names

• (-)-alpha-cedrene
• (-)-cedrene
• (3R,3aS,7S,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulene
• alpha-cedrene

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.19	kJ/mol	Joback Calculated Property
logPoct/wat	4.415		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Inp	[1397.00; 1397.00]
Inp	1397.00		NIST
Inp	1397.00		NIST
Tfus	288.10	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[503.55; 623.74]	J/mol×K	[566.64; 792.17]
Cp,gas	503.55	J/mol×K	566.64	Joback Calculated Property
Cp,gas	526.55	J/mol×K	604.23	Joback Calculated Property
Cp,gas	547.97	J/mol×K	641.82	Joback Calculated Property
Cp,gas	568.10	J/mol×K	679.41	Joback Calculated Property
Cp,gas	587.25	J/mol×K	716.99	Joback Calculated Property
Cp,gas	605.70	J/mol×K	754.58	Joback Calculated Property
Cp,gas	623.74	J/mol×K	792.17	Joback Calculated Property
ΔvapH	65.00	kJ/mol	298.15	The vaporization enthalpy and vapor pressures of liquid adamantane, diamantane and alpha- and beta-cedrene by correlation gas chromatography

Similar Compounds

Find more compounds similar to 1H,3a,7-Methanoazulene-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl, [3R«alpha»,3a«beta»,7«beta»,8a«alpha»).

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
• The vaporization enthalpy and vapor pressures of liquid adamantane, diamantane and alpha- and beta-cedrene 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.
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