Chemical Properties of 1,3,5-tris-(Bromomethyl) cyclohexane

InChI

InChI=1S/C9H15Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h7-9H,1-6H2

InChI Key

HPDNDWLWKJEJTR-UHFFFAOYSA-N

Formula

C9H15Br3

SMILES

BrCC1CC(CBr)CC(CBr)C1

Molecular Weight¹

362.93

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.90	kJ/mol	Joback Calculated Property
logPoct/wat	4.204		Crippen Calculated Property
McVol	179.310	ml/mol	McGowan Calculated Property
Inp	[1937.00; 1937.00]
Inp	1937.00		NIST
Inp	1937.00		NIST
Tboil	576.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[204.78; 509.25]	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			-3.44470e+01
Coefficient B			1.04250e+00
Coefficient C			-6.50200e-04
Coefficient D			1.51400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.78	J/mol×K	273.00	Calculated Property
Cp,gas	259.69	J/mol×K	353.78	Calculated Property
Cp,gas	308.22	J/mol×K	434.56	Calculated Property
Cp,gas	350.84	J/mol×K	515.33	Calculated Property
Cp,gas	388.02	J/mol×K	596.11	Calculated Property
Cp,gas	420.26	J/mol×K	676.89	Calculated Property
Cp,gas	448.02	J/mol×K	757.67	Calculated Property
Cp,gas	471.79	J/mol×K	838.44	Calculated Property
Cp,gas	492.04	J/mol×K	919.22	Calculated Property
Cp,gas	509.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019928; 0.0003594]	Pa×s	[369.49; 601.45]	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			-1.06598e+01
Coefficient B			1.64111e+03
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.			369.49
Temperature range, max.			601.45
η	0.0019928	Pa×s	369.49	Calculated Property
η	0.0014917	Pa×s	395.26	Calculated Property
η	0.0011569	Pa×s	421.04	Calculated Property
η	0.0009240	Pa×s	446.81	Calculated Property
η	0.0007562	Pa×s	472.58	Calculated Property
η	0.0006319	Pa×s	498.36	Calculated Property
η	0.0005375	Pa×s	524.13	Calculated Property
η	0.0004641	Pa×s	549.90	Calculated Property
η	0.0004061	Pa×s	575.67	Calculated Property
η	0.0003594	Pa×s	601.45	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-tris-(Bromomethyl) cyclohexane.

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.
These property values are available through the Cheméo API. A free account gives you an access key.