Chemical Properties of 2-Propanamine, N-ethyl- (CAS 19961-27-4)

InChI

InChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3

InChI Key

RIVIDPPYRINTTH-UHFFFAOYSA-N

Formula

C5H13N

SMILES

CCNC(C)C

Molecular Weight¹

87.16

CAS

19961-27-4

Other Names

• (C2H5)(i-C3H7)NH
• (CH3)2CHNHCH2CH3
• Diethylamine, 1-methyl-
• Ethylisopropylamine
• Isopropylamine, N-ethyl-
• N-Ethyl-N-isopropylamine
• N-Ethylisopropylamine
• isopropylethylamine

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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
PAff	960.00	kJ/mol	NIST
BasG	926.70	kJ/mol	NIST
ΔfH°gas	-101.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.28	kJ/mol	Joback Calculated Property
ΔvapH°	[33.10; 33.25]	kJ/mol
ΔvapH°	33.25	kJ/mol	NIST
ΔvapH°	33.10 ± 0.10	kJ/mol	NIST
logPoct/wat	1.004		Crippen Calculated Property
McVol	91.290	ml/mol	McGowan Calculated Property
Inp	[603.00; 603.00]
Inp	603.00		NIST
Inp	603.00		NIST
Tboil	[342.80; 355.15]	K
Tboil	342.80	K	NIST
Tboil	355.15 ± 1.50	K	NIST
Tc	508.00	K	NIST
Tfus	193.34	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[28.80; 33.40]	kJ/mol	[313.00; 358.00]
ΔvapH	32.10 ± 0.10	kJ/mol	313.00	NIST
ΔvapH	33.40	kJ/mol	322.50	NIST
ΔvapH	31.00 ± 0.10	kJ/mol	328.00	NIST
ΔvapH	29.94	kJ/mol	342.80	NIST
ΔvapH	28.80 ± 0.10	kJ/mol	358.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[127.42; 314.71]	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			-4.54900e+00
Coefficient B			5.60960e-01
Coefficient C			-3.00000e-04
Coefficient D			5.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.42	J/mol×K	273.00	Calculated Property
Cp,gas	158.94	J/mol×K	353.78	Calculated Property
Cp,gas	187.35	J/mol×K	434.56	Calculated Property
Cp,gas	212.84	J/mol×K	515.33	Calculated Property
Cp,gas	235.59	J/mol×K	596.11	Calculated Property
Cp,gas	255.79	J/mol×K	676.89	Calculated Property
Cp,gas	273.61	J/mol×K	757.67	Calculated Property
Cp,gas	289.25	J/mol×K	838.44	Calculated Property
Cp,gas	302.89	J/mol×K	919.22	Calculated Property
Cp,gas	314.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[263.77; 362.22]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46955e+01
Coefficient B			-2.64956e+03
Coefficient C			-7.98730e+01
Temperature range, min.			263.77
Temperature range, max.			362.22
Pvap	1.33	kPa	263.77	Calculated Property
Pvap	2.99	kPa	274.71	Calculated Property
Pvap	6.17	kPa	285.65	Calculated Property
Pvap	11.82	kPa	296.59	Calculated Property
Pvap	21.26	kPa	307.53	Calculated Property
Pvap	36.25	kPa	318.46	Calculated Property
Pvap	58.99	kPa	329.40	Calculated Property
Pvap	92.13	kPa	340.34	Calculated Property
Pvap	138.83	kPa	351.28	Calculated Property
Pvap	202.64	kPa	362.22	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanamine, N-ethyl-.

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
• The Yaws Handbook of Vapor Pressure

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