Chemical Properties of (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-octahydro-4,7-methano-1H-indene (CAS 2825-83-4)

InChI

InChI=1S/C14H24/c1-11-8-9-12(2,10-11)14(4)7-5-6-13(11,14)3/h5-10H2,1-4H3/t11-,12+,13-,14+

InChI Key

HFDBLHGEKMWGRC-KPWCQOOUSA-N

Formula

C10H16

SMILES

CC12CCC(C)(C1)C1(C)CCCC21C

Molecular Weight¹

136.23

CAS

2825-83-4

Other Names

• endo tetrahydrodicyclopentadiene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[466.97; 583.64]	J/mol×K	[540.50; 777.93]
Cp,gas	466.97	J/mol×K	540.50	Joback Calculated Property
Cp,gas	489.65	J/mol×K	580.07	Joback Calculated Property
Cp,gas	510.26	J/mol×K	619.64	Joback Calculated Property
Cp,gas	529.37	J/mol×K	659.21	Joback Calculated Property
Cp,gas	547.57	J/mol×K	698.78	Joback Calculated Property
Cp,gas	565.47	J/mol×K	738.36	Joback Calculated Property
Cp,gas	583.64	J/mol×K	777.93	Joback Calculated Property
ΔfusH	3.48	kJ/mol	356.80	NIST

Similar Compounds

Find more compounds similar to (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-octahydro-4,7-methano-1H-indene.

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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