Chemical Properties of Cyclohexane, 1,2,4-tris(methylene)-

InChI

InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h1-6H2

InChI Key

AMBNQWVPTPHADI-UHFFFAOYSA-N

Formula

C9H12

SMILES

C=C1CCC(=C)C(=C)C1

Molecular Weight¹

120.19

• 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (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	249.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.35	kJ/mol	Joback Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
logPoct/wat	2.839		Crippen Calculated Property
McVol	113.910	ml/mol	McGowan Calculated Property
I	[1297.00; 1297.00]
I	1297.00		NIST
I	1297.00		NIST
Tboil	422.25	K	Relay (1.0) Calculated Property
Tfus	213.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[145.54; 366.33]	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			-9.97000e+00
Coefficient B			6.54900e-01
Coefficient C			-3.25000e-04
Coefficient D			4.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.54	J/mol×K	273.00	Calculated Property
Cp,gas	183.10	J/mol×K	353.78	Calculated Property
Cp,gas	217.06	J/mol×K	434.56	Calculated Property
Cp,gas	247.56	J/mol×K	515.33	Calculated Property
Cp,gas	274.76	J/mol×K	596.11	Calculated Property
Cp,gas	298.81	J/mol×K	676.89	Calculated Property
Cp,gas	319.84	J/mol×K	757.67	Calculated Property
Cp,gas	338.00	J/mol×K	838.44	Calculated Property
Cp,gas	353.45	J/mol×K	919.22	Calculated Property
Cp,gas	366.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018559; 0.0002575]	Pa×s	[243.85; 442.61]	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			-1.06879e+01
Coefficient B			1.07258e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			243.85
Temperature range, max.			442.61
η	0.0018559	Pa×s	243.85	Calculated Property
η	0.0012880	Pa×s	265.93	Calculated Property
η	0.0009454	Pa×s	288.02	Calculated Property
η	0.0007252	Pa×s	310.10	Calculated Property
η	0.0005762	Pa×s	332.19	Calculated Property
η	0.0004711	Pa×s	354.27	Calculated Property
η	0.0003945	Pa×s	376.36	Calculated Property
η	0.0003368	Pa×s	398.44	Calculated Property
η	0.0002924	Pa×s	420.53	Calculated Property
η	0.0002575	Pa×s	442.61	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 1,2,4-tris(methylene)-.

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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