Chemical Properties of 2H-2a,7-Methanoazuleno[5,6-b]oxirene, octahydro-3,6,6,7a-tetramethyl- (CAS 29597-36-2)

InChI

InChI=1S/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3

InChI Key

HZRFVTRTTXBHSE-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1CCC2C(C)(C)C3CC12CC1OC13C

Molecular Weight¹

220.35

CAS

29597-36-2

Other Names

• «alpha»-Cedrene epoxide
• «alpha»-Cedrene oxide
• «alpha»-Cedren epoxide
• NSC 371728
• Cedrane, 8,9-epoxide
• octahydro-3,6,6,7a-tetramethyl-2H-2a,7-methanoazuleno[5,6-b]oxirene

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.44	kJ/mol	Joback Calculated Property
logPoct/wat	3.626		Crippen Calculated Property
McVol	184.640	ml/mol	McGowan Calculated Property
Inp	[1568.70; 1586.00]
Inp	1569.00		NIST
Inp	1568.70		NIST
Inp	1570.00		NIST
Inp	1585.00		NIST
Inp	1585.00		NIST
Inp	1586.00		NIST
Inp	1585.00		NIST
Inp	1585.00		NIST
Inp	1586.00		NIST
Inp	1586.00		NIST
Inp	1585.00		NIST
I	[1961.00; 2007.00]
I	2007.00		NIST
I	1978.00		NIST
I	1961.00		NIST
I	1961.00		NIST
I	1978.00		NIST
I	1961.00		NIST
I	2007.00		NIST
Tfus	336.23	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.29; 773.63]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.26550e+02
Coefficient B			2.82568e+00
Coefficient C			-3.09070e-03
Coefficient D			1.36520e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	242.29	J/mol×K	273.00	Calculated Property
Cp,gas	346.73	J/mol×K	353.78	Calculated Property
Cp,gas	429.75	J/mol×K	434.56	Calculated Property
Cp,gas	495.66	J/mol×K	515.33	Calculated Property
Cp,gas	548.78	J/mol×K	596.11	Calculated Property
Cp,gas	593.43	J/mol×K	676.89	Calculated Property
Cp,gas	633.92	J/mol×K	757.67	Calculated Property
Cp,gas	674.57	J/mol×K	838.44	Calculated Property
Cp,gas	719.70	J/mol×K	919.22	Calculated Property
Cp,gas	773.63	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2H-2a,7-Methanoazuleno[5,6-b]oxirene, octahydro-3,6,6,7a-tetramethyl-.

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.
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