Chemical Properties of Tricyclo[3.3.1.13,7]decan-1-amine, N,N-dimethyl-

InChI

InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3

InChI Key

NFBYCNFAXLUGBT-UHFFFAOYSA-N

Formula

C12H21N

SMILES

CN(C)C12CC3CC(CC(C3)C1)C2

Molecular Weight¹

179.31

Other Names

• (Dimethylamino)adamantane
• N,N-Dimethyl-1-adamantylamine
• 1-(Dimethylamino)adamantane
• N,N-Dimethyl-1-adamantanamine
• Tricyclo(3.3.1.1

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	993.90	kJ/mol	NIST
BasG	963.00	kJ/mol	NIST
ΔfH°gas	-132.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.94	kJ/mol	Joback Calculated Property
IE	7.53	eV	Relay (1.0) Calculated Property
logPoct/wat	2.517		Crippen Calculated Property
McVol	157.340	ml/mol	McGowan Calculated Property
Inp	[1470.00; 1475.00]
Inp	1475.00		NIST
Inp	1475.00		NIST
Inp	1470.00		NIST
Tfus	459.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[198.67; 631.43]	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			-2.18610e+02
Coefficient B			1.97624e+00
Coefficient C			-1.83300e-03
Coefficient D			7.06800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.67	J/mol×K	273.00	Calculated Property
Cp,gas	282.42	J/mol×K	353.78	Calculated Property
Cp,gas	352.04	J/mol×K	434.56	Calculated Property
Cp,gas	409.76	J/mol×K	515.33	Calculated Property
Cp,gas	457.81	J/mol×K	596.11	Calculated Property
Cp,gas	498.45	J/mol×K	676.89	Calculated Property
Cp,gas	533.89	J/mol×K	757.67	Calculated Property
Cp,gas	566.38	J/mol×K	838.44	Calculated Property
Cp,gas	598.15	J/mol×K	919.22	Calculated Property
Cp,gas	631.43	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[3.3.1.13,7]decan-1-amine, N,N-dimethyl-.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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