Chemical Properties of Cycloheptane, bromo- (CAS 2404-35-5)

InChI

InChI=1S/C7H13Br/c8-7-5-3-1-2-4-6-7/h7H,1-6H2

InChI Key

LOXORFRCPXUORP-UHFFFAOYSA-N

Formula

C7H13Br

SMILES

BrC1CCCCCC1

Molecular Weight¹

177.08

CAS

2404-35-5

Other Names

• Bromocycloheptane
• Cycloheptyl bromide

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-100.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.91	kJ/mol	Joback Calculated Property
ΔvapH°	48.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.75	eV	Relay (1.0) Calculated Property
log10WS	-3.16		Relay (1.0) Calculated Property
logPoct/wat	3.104		Crippen Calculated Property
McVol	116.130	ml/mol	McGowan Calculated Property
Inp	[1157.00; 1157.00]
Inp	1157.00		NIST
Inp	1157.00		NIST
Tboil	457.50	K	Relay (1.0) Calculated Property
Tfus	222.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[216.72; 304.86]	J/mol×K	[449.74; 682.25]
Cp,gas	216.72	J/mol×K	449.74	Joback Calculated Property
Cp,gas	233.84	J/mol×K	488.49	Joback Calculated Property
Cp,gas	249.95	J/mol×K	527.24	Joback Calculated Property
Cp,gas	265.08	J/mol×K	566.00	Joback Calculated Property
Cp,gas	279.25	J/mol×K	604.75	Joback Calculated Property
Cp,gas	292.50	J/mol×K	643.50	Joback Calculated Property
Cp,gas	304.86	J/mol×K	682.25	Joback Calculated Property
η	[0.0003157; 0.0086730]	Pa×s	[232.31; 449.74]
η	0.0086730	Pa×s	232.31	Joback Calculated Property
η	0.0034400	Pa×s	268.55	Joback Calculated Property
η	0.0017000	Pa×s	304.79	Joback Calculated Property
η	0.0009759	Pa×s	341.02	Joback Calculated Property
η	0.0006233	Pa×s	377.26	Joback Calculated Property
η	0.0004306	Pa×s	413.50	Joback Calculated Property
η	0.0003157	Pa×s	449.74	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[344.70; 356.00]	K	[1.30; 2.00]
Tboilr	344.70	K	1.30	NIST
Tboilr	356.00	K	2.00	NIST

Similar Compounds

Find more compounds similar to Cycloheptane, bromo-.

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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