Chemical Properties of 2-Propen-1-amine, N-2-propenyl- (CAS 124-02-7)

InChI

InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2

InChI Key

DYUWTXWIYMHBQS-UHFFFAOYSA-N

Formula

C6H11N

SMILES

C=CCNCC=C

Molecular Weight¹

97.16

CAS

124-02-7

Other Names

• (CH2=CHCH2)2NH
• Di-2-propenylamine
• Diallylamine
• N,N-Di(2-propenyl)amine
• UN 2359

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_boil : Normal Boiling Point 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	949.30	kJ/mol	NIST
BasG	916.30	kJ/mol	NIST
ΔfusH°	13.83	kJ/mol	Joback Calculated Property
IE	[8.20; 8.80]	eV
IE	8.20	eV	NIST
IE	8.80 ± 0.30	eV	NIST
IE	8.79	eV	NIST
logPoct/wat	0.948		Crippen Calculated Property
McVol	96.780	ml/mol	McGowan Calculated Property
Inp	[660.00; 660.00]
Inp	660.00		NIST
Inp	660.00		NIST
Inp	660.00		NIST
Inp	660.00		NIST
Tboil	384.20	K	NIST
Tfus	184.95	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[129.33; 308.74]	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			-9.75800e+00
Coefficient B			6.10000e-01
Coefficient C			-3.97000e-04
Coefficient D			1.05500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	129.33	J/mol×K	273.00	Calculated Property
Cp,gas	161.03	J/mol×K	353.78	Calculated Property
Cp,gas	189.01	J/mol×K	434.56	Calculated Property
Cp,gas	213.60	J/mol×K	515.33	Calculated Property
Cp,gas	235.14	J/mol×K	596.11	Calculated Property
Cp,gas	253.97	J/mol×K	676.89	Calculated Property
Cp,gas	270.40	J/mol×K	757.67	Calculated Property
Cp,gas	284.79	J/mol×K	838.44	Calculated Property
Cp,gas	297.46	J/mol×K	919.22	Calculated Property
Cp,gas	308.74	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propen-1-amine, N-2-propenyl-.

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, 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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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