Chemical Properties of N-Allyl-N,N-dimethylamine (CAS 2155-94-4)

InChI

InChI=1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3

InChI Key

GBCKRQRXNXQQPW-UHFFFAOYSA-N

Formula

C5H11N

SMILES

C=CCN(C)C

Molecular Weight¹

85.15

CAS

2155-94-4

Other Names

• 2-Propen-1-amine, N,N-dimethyl-
• Allylamine, N,N-dimethyl-
• Allyldimethylamine
• CH2=CHCH2N(CH3)2
• Dimethylallylamine
• N,N-Dimethyl-2-propene-1-amine
• N,N-Dimethylallylamine
• N-Allyldimethylamine

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	957.80	kJ/mol	NIST
BasG	926.80	kJ/mol	NIST
ΔfG°	189.84	kJ/mol	Joback Calculated Property
ΔfH°gas	46.43	kJ/mol	Joback Calculated Property
ΔfusH°	10.45	kJ/mol	Joback Calculated Property
ΔvapH°	28.10	kJ/mol	Joback Calculated Property
IE	[7.84; 7.84]	eV
IE	7.84 ± 0.03	eV	NIST
IE	7.84	eV	NIST
IE	7.84 ± 0.05	eV	NIST
log10WS	-0.34		Crippen Calculated Property
logPoct/wat	0.734		Crippen Calculated Property
McVol	86.990	ml/mol	McGowan Calculated Property
Pc	3637.73	kPa	Joback Calculated Property
Inp	[604.00; 604.00]
Inp	604.00		NIST
Inp	604.00		NIST
Tboil	[335.15; 336.70]	K
Tboil	336.70	K	NIST
Tboil	335.15 ± 2.00	K	NIST
Tc	488.29	K	Joback Calculated Property
Tfus	176.82	K	Joback Calculated Property
Vc	0.315	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[136.30; 189.72]	J/mol×K	[322.92; 488.29]
Cp,gas	136.30	J/mol×K	322.92	Joback Calculated Property
Cp,gas	146.21	J/mol×K	350.48	Joback Calculated Property
Cp,gas	155.69	J/mol×K	378.04	Joback Calculated Property
Cp,gas	164.78	J/mol×K	405.60	Joback Calculated Property
Cp,gas	173.47	J/mol×K	433.16	Joback Calculated Property
Cp,gas	181.78	J/mol×K	460.72	Joback Calculated Property
Cp,gas	189.72	J/mol×K	488.29	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[248.88; 357.91]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51860e+01
Coefficient B			-3.19264e+03
Coefficient C			-3.45860e+01
Temperature range, min.			248.88
Temperature range, max.			357.91
Pvap	1.33	kPa	248.88	Calculated Property
Pvap	2.96	kPa	260.99	Calculated Property
Pvap	6.06	kPa	273.11	Calculated Property
Pvap	11.56	kPa	285.22	Calculated Property
Pvap	20.81	kPa	297.34	Calculated Property
Pvap	35.54	kPa	309.45	Calculated Property
Pvap	58.04	kPa	321.57	Calculated Property
Pvap	91.07	kPa	333.68	Calculated Property
Pvap	137.99	kPa	345.80	Calculated Property
Pvap	202.67	kPa	357.91	Calculated Property

Similar Compounds

Find more compounds similar to N-Allyl-N,N-dimethylamine.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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