Chemical Properties of Bicyclo[2.2.1]hept-5-ene, exo-2-(bromomethyl)-

InChI

InChI=1S/C8H11Br/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2

InChI Key

XCDJEPZLSGMJSM-UHFFFAOYSA-N

Formula

C8H11Br

SMILES

BrCC1CC2C=CC1C2

Molecular Weight¹

187.08

• 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).
• 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	45.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.22	kJ/mol	Joback Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
logPoct/wat	2.593		Crippen Calculated Property
McVol	115.060	ml/mol	McGowan Calculated Property
Inp	[1151.00; 1151.00]
Inp	1151.00		NIST
Inp	1151.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[133.19; 377.74]	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			-8.80790e+01
Coefficient B			1.01170e+00
Coefficient C			-8.08680e-04
Coefficient D			2.62800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.19	J/mol×K	273.00	Calculated Property
Cp,gas	180.26	J/mol×K	353.78	Calculated Property
Cp,gas	220.42	J/mol×K	434.56	Calculated Property
Cp,gas	254.49	J/mol×K	515.33	Calculated Property
Cp,gas	283.31	J/mol×K	596.11	Calculated Property
Cp,gas	307.71	J/mol×K	676.89	Calculated Property
Cp,gas	328.53	J/mol×K	757.67	Calculated Property
Cp,gas	346.58	J/mol×K	838.44	Calculated Property
Cp,gas	362.71	J/mol×K	919.22	Calculated Property
Cp,gas	377.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011601; 0.0008552]	Pa×s	[268.60; 478.50]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-7.45446e+00
Coefficient B			1.86740e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			268.60
Temperature range, max.			478.50
η	0.0011601	Pa×s	268.60	Calculated Property
η	0.0010974	Pa×s	291.92	Calculated Property
η	0.0010467	Pa×s	315.25	Calculated Property
η	0.0010049	Pa×s	338.57	Calculated Property
η	0.0009698	Pa×s	361.89	Calculated Property
η	0.0009399	Pa×s	385.21	Calculated Property
η	0.0009143	Pa×s	408.54	Calculated Property
η	0.0008920	Pa×s	431.86	Calculated Property
η	0.0008724	Pa×s	455.18	Calculated Property
η	0.0008552	Pa×s	478.50	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]hept-5-ene, exo-2-(bromomethyl)-.

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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