Chemical Properties of Cyclohexanol, 3-(aminomethyl)-3,5,5-trimethyl- (CAS 15647-11-7)

InChI

InChI=1S/C10H21NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8,12H,4-7,11H2,1-3H3

InChI Key

YFEAYNIMJBHJCM-UHFFFAOYSA-N

Formula

C10H21NO

SMILES

CC1(C)CC(O)CC(C)(CN)C1

Molecular Weight¹

171.28

CAS

15647-11-7

Other Names

• 3-Aminomethyl-3,5,5-trimethylcyclohexanol
• 3-aminomethyl-3,5,5-trimethylcyclohexan-1-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[209.05; 602.93]	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			-1.48129e+02
Coefficient B			1.70266e+00
Coefficient C			-1.62940e-03
Coefficient D			6.77800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	209.05	J/mol×K	273.00	Calculated Property
Cp,gas	280.31	J/mol×K	353.78	Calculated Property
Cp,gas	339.70	J/mol×K	434.56	Calculated Property
Cp,gas	389.35	J/mol×K	515.33	Calculated Property
Cp,gas	431.42	J/mol×K	596.11	Calculated Property
Cp,gas	468.04	J/mol×K	676.89	Calculated Property
Cp,gas	501.35	J/mol×K	757.67	Calculated Property
Cp,gas	533.51	J/mol×K	838.44	Calculated Property
Cp,gas	566.66	J/mol×K	919.22	Calculated Property
Cp,gas	602.93	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanol, 3-(aminomethyl)-3,5,5-trimethyl-.

Sources

• 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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