Chemical Properties of Cyclooctane, 1-bromo-2-(trichloromethyl)

InChI

InChI=1S/C9H14BrCl3/c10-8-6-4-2-1-3-5-7(8)9(11,12)13/h7-8H,1-6H2

InChI Key

WATALFRMBMIIKB-UHFFFAOYSA-N

Formula

C9H14BrCl3

SMILES

ClC(Cl)(Cl)C1CCCCCCC1Br

Molecular Weight¹

308.47

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-195.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.23	kJ/mol	Joback Calculated Property
ΔvapH°	66.09	kJ/mol	Relay (1.0) Calculated Property
IE	9.85	eV	Relay (1.0) Calculated Property
logPoct/wat	5.091		Crippen Calculated Property
McVol	181.030	ml/mol	McGowan Calculated Property
Inp	[1770.00; 1770.00]
Inp	1770.00		NIST
Inp	1770.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[400.19; 487.58]	J/mol×K	[604.16; 867.21]
Cp,gas	400.19	J/mol×K	604.16	Joback Calculated Property
Cp,gas	418.45	J/mol×K	648.00	Joback Calculated Property
Cp,gas	435.13	J/mol×K	691.84	Joback Calculated Property
Cp,gas	450.30	J/mol×K	735.68	Joback Calculated Property
Cp,gas	464.05	J/mol×K	779.52	Joback Calculated Property
Cp,gas	476.45	J/mol×K	823.36	Joback Calculated Property
Cp,gas	487.58	J/mol×K	867.21	Joback Calculated Property
η	[0.0001522; 0.0038519]	Pa×s	[339.27; 604.16]
η	0.0038519	Pa×s	339.27	Joback Calculated Property
η	0.0016486	Pa×s	383.42	Joback Calculated Property
η	0.0008408	Pa×s	427.57	Joback Calculated Property
η	0.0004864	Pa×s	471.72	Joback Calculated Property
η	0.0003090	Pa×s	515.86	Joback Calculated Property
η	0.0002109	Pa×s	560.01	Joback Calculated Property
η	0.0001522	Pa×s	604.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclooctane, 1-bromo-2-(trichloromethyl).

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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