Chemical Properties of 3a,7-Methano-3aH-cyclopentacyclooctene, decahydro-1,1,7-trimethyl-, [3aS-(3a«alpha»,7«alpha»,9a«beta»)]- (CAS 469-91-0)

InChI

InChI=1S/C15H26/c1-13(2)9-10-15-7-4-6-14(3,11-15)8-5-12(13)15/h12H,4-11H2,1-3H3

InChI Key

RKEKUXDRGCRXMQ-UHFFFAOYSA-N

Formula

C15H26

SMILES

CC12CCCC3(CCC(C)(C)C3CC1)C2

Molecular Weight¹

206.37

CAS

469-91-0

Other Names

• 3a,7-Methano-3aH-cyclopentacyclooctene, decahydro-1,1,7-trimethyl-, stereoisomer
• Clovan
• Clovane

• 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_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	4.89	kJ/mol	Joback Calculated Property
logPoct/wat	4.783		Crippen Calculated Property
McVol	189.630	ml/mol	McGowan Calculated Property
Inp	[1498.00; 1525.00]
Inp	1498.00		NIST
Inp	1498.00		NIST
Inp	1525.00		NIST
Ip	[1621.00; 1657.00]
Ip	1621.00		NIST
Ip	1621.00		NIST
Ip	1657.00		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[229.17; 766.39]	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			-3.20870e+02
Coefficient B			2.70196e+00
Coefficient C			-2.85600e-03
Coefficient D			1.24130e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.17	J/mol×K	273.00	Calculated Property
Cp,gas	332.53	J/mol×K	353.78	Calculated Property
Cp,gas	415.82	J/mol×K	434.56	Calculated Property
Cp,gas	482.96	J/mol×K	515.33	Calculated Property
Cp,gas	537.86	J/mol×K	596.11	Calculated Property
Cp,gas	584.47	J/mol×K	676.89	Calculated Property
Cp,gas	626.70	J/mol×K	757.67	Calculated Property
Cp,gas	668.48	J/mol×K	838.44	Calculated Property
Cp,gas	713.73	J/mol×K	919.22	Calculated Property
Cp,gas	766.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3a,7-Methano-3aH-cyclopentacyclooctene, decahydro-1,1,7-trimethyl-, [3aS-(3a«alpha»,7«alpha»,9a«beta»)]-.

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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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