Chemical Properties of Cyclopentaneethanamine, N,«alpha»-dimethyl- (CAS 102-45-4)

InChI

InChI=1S/C9H19N/c1-8(10-2)7-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3

InChI Key

HFXKQSZZZPGLKQ-UHFFFAOYSA-N

Formula

C9H19N

SMILES

CNC(C)CC1CCCC1

Molecular Weight¹

141.25

CAS

102-45-4

Other Names

• Cyclopentaneethylamine, N,«alpha»-dimethyl-
• Clopane
• Cyclonarol
• Cyclopentadrin
• Cyclopentamin
• Cyclopentamine
• Cyklosan
• Sinos
• Ethylamine, 2-cyclopentyl-N,1-dimethyl-
• 2-Cyclopentyl-N,1-dimethylethylamine
• Cyclopentadrine
• Cyklosal
• N,«alpha»-Dimethylcyclopentaneethylamine
• Cyclopentamine (pharmacetical)

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3781		Relay (1.0) Calculated Property
ΔfusH°	14.58	kJ/mol	Joback Calculated Property
ΔvapH°	51.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
logPoct/wat	2.175		Crippen Calculated Property
McVol	136.790	ml/mol	McGowan Calculated Property
Pc	2826.33	kPa	Joback Calculated Property
Inp	[1065.00; 1109.00]
Inp	1100.00		NIST
Inp	1076.00		NIST
Inp	1085.00		NIST
Inp	1085.00		NIST
Inp	1065.00		NIST
Inp	1080.00		NIST
Inp	1088.00		NIST
Inp	1098.00		NIST
Inp	1109.00		NIST
Inp	1065.00		NIST
Inp	1087.00		NIST
Inp	1088.00		NIST
I	[1310.00; 1347.00]
I	1310.00		NIST
I	1327.00		NIST
I	1347.00		NIST
Tboil	444.20	K	NIST
Tc	661.61	K	Relay (1.0) Calculated Property
Tfus	237.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.05; 504.37]	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			-6.86690e+01
Coefficient B			1.07264e+00
Coefficient C			-6.45000e-04
Coefficient D			1.45400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.05	J/mol×K	273.00	Calculated Property
Cp,gas	236.52	J/mol×K	353.78	Calculated Property
Cp,gas	287.58	J/mol×K	434.56	Calculated Property
Cp,gas	332.71	J/mol×K	515.33	Calculated Property
Cp,gas	372.34	J/mol×K	596.11	Calculated Property
Cp,gas	406.96	J/mol×K	676.89	Calculated Property
Cp,gas	437.01	J/mol×K	757.67	Calculated Property
Cp,gas	462.95	J/mol×K	838.44	Calculated Property
Cp,gas	485.25	J/mol×K	919.22	Calculated Property
Cp,gas	504.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentaneethanamine, N,«alpha»-dimethyl-.

Sources

• Cheméo Relay (1.0)
• 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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