Chemical Properties of 2-Ethylpiperidine (CAS 1484-80-6)

InChI

InChI=1S/C7H15N/c1-2-7-5-3-4-6-8-7/h7-8H,2-6H2,1H3

InChI Key

QBBKKFZGCDJDQK-UHFFFAOYSA-N

Formula

C7H15N

SMILES

CCC1CCCCN1

Molecular Weight¹

113.20

CAS

1484-80-6

Other Names

• .alpha.-ethylpiperidine
• coniine
• piperidine, 2-ethyl-
• «alpha»-Ethylpiperidine

• ω : Acentric Factor.
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (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	0.3175		Relay (1.0) Calculated Property
ΔfH°gas	-90.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.31	kJ/mol	Joback Calculated Property
ΔvapH°	42.20 ± 0.90	kJ/mol	NIST
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-1.50		Aq. Solubility Prediction
logPoct/wat	1.538		Crippen Calculated Property
McVol	108.610	ml/mol	McGowan Calculated Property
Pc	3628.97	kPa	Joback Calculated Property
Inp	[890.00; 890.00]
Inp	890.00		NIST
Inp	890.00		NIST
Tboil	416.20	K	NIST
Tc	631.07	K	Relay (1.0) Calculated Property
Tfus	224.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.15; 303.36]	J/mol×K	[427.66; 639.14]
Cp,gas	215.15	J/mol×K	427.66	Joback Calculated Property
Cp,gas	231.73	J/mol×K	462.91	Joback Calculated Property
Cp,gas	247.54	J/mol×K	498.15	Joback Calculated Property
Cp,gas	262.60	J/mol×K	533.40	Joback Calculated Property
Cp,gas	276.91	J/mol×K	568.65	Joback Calculated Property
Cp,gas	290.49	J/mol×K	603.89	Joback Calculated Property
Cp,gas	303.36	J/mol×K	639.14	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[303.33; 444.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40920e+01
Coefficient B			-3.40828e+03
Coefficient C			-5.64370e+01
Temperature range, min.			303.33
Temperature range, max.			444.60
Pvap	1.33	kPa	303.33	Calculated Property
Pvap	3.04	kPa	319.03	Calculated Property
Pvap	6.33	kPa	334.72	Calculated Property
Pvap	12.16	kPa	350.42	Calculated Property
Pvap	21.89	kPa	366.12	Calculated Property
Pvap	37.23	kPa	381.81	Calculated Property
Pvap	60.29	kPa	397.51	Calculated Property
Pvap	93.58	kPa	413.21	Calculated Property
Pvap	139.97	kPa	428.90	Calculated Property
Pvap	202.65	kPa	444.60	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylpiperidine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Experimental and computational study on the thermochemistry of ethylpiperidines
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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