Chemical Properties of Cycloheptylamine (CAS 5452-35-7)

InChI

InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2

InChI Key

VXVVUHQULXCUPF-UHFFFAOYSA-N

Formula

C7H15N

SMILES

NC1CCCCCC1

Molecular Weight¹

113.20

CAS

5452-35-7

Other Names

• Aminocycloheptane
• Cycloheptanamine-
• cycloheptanamine

• 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).
• 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).
• 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

Cheméo can also estimate Critical Pressure, Critical Volume, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.34; 403.29]	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			-6.77100e+01
Coefficient B			8.43200e-01
Coefficient C			-4.35000e-04
Coefficient D			6.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.34	J/mol×K	273.00	Calculated Property
Cp,gas	178.93	J/mol×K	353.78	Calculated Property
Cp,gas	221.72	J/mol×K	434.56	Calculated Property
Cp,gas	259.89	J/mol×K	515.33	Calculated Property
Cp,gas	293.66	J/mol×K	596.11	Calculated Property
Cp,gas	323.21	J/mol×K	676.89	Calculated Property
Cp,gas	348.75	J/mol×K	757.67	Calculated Property
Cp,gas	370.48	J/mol×K	838.44	Calculated Property
Cp,gas	388.59	J/mol×K	919.22	Calculated Property
Cp,gas	403.29	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cycloheptylamine.

Mixtures

• Cycloheptylamine + Heptane

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Thermodynamic study of (heptane + amine) mixtures. III: Excess and partial molar volumes in mixtures with secondary, tertiary, and cyclic amines at 298.15 K
• Joback Method
• McGowan Method
• NIST Webbook

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