Chemical Properties of 2-Propyn-1-amine, N,N-dimethyl- (CAS 7223-38-3)

InChI

InChI=1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3

InChI Key

ILBIXZPOMJFOJP-UHFFFAOYSA-N

Formula

C5H9N

SMILES

C#CCN(C)C

Molecular Weight¹

83.13

CAS

7223-38-3

Other Names

• N,N-Dimethyl-2-propyn-1-amine
• (CH3)2NCH2C«equiv»CH
• 1-Dimethylamino-2-propyne
• 3-Dimethylamino-1-propyne
• N,N-dimethyl propargylamine
• N-(2-Propynyl)-N,N-dimethylamine
• dimethyl(prop-2-ynyl)amine

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	940.30	kJ/mol	NIST
BasG	909.50	kJ/mol	NIST
ΔcH°liquid	-3451.40 ± 1.70	kJ/mol	NIST
ΔfH°gas	231.86	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	197.60 ± 1.70	kJ/mol	NIST
ΔfusH°	14.70	kJ/mol	Joback Calculated Property
ΔvapH°	36.17	kJ/mol	Relay (1.0) Calculated Property
IE	[8.17; 8.29]	eV
IE	8.29 ± 0.03	eV	NIST
IE	8.17	eV	NIST
IE	8.22 ± 0.05	eV	NIST
logPoct/wat	0.181		Crippen Calculated Property
McVol	82.690	ml/mol	McGowan Calculated Property
Inp	637.00		NIST
Tboil	[353.50; 355.00]	K
Tboil	353.50 ± 0.50	K	NIST
Tboil	354.20	K	NIST
Tboil	355.00	K	NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.06; 177.44]	J/mol×K	[316.56; 490.35]
Cp,gas	130.06	J/mol×K	316.56	Joback Calculated Property
Cp,gas	138.95	J/mol×K	345.53	Joback Calculated Property
Cp,gas	147.42	J/mol×K	374.49	Joback Calculated Property
Cp,gas	155.49	J/mol×K	403.46	Joback Calculated Property
Cp,gas	163.18	J/mol×K	432.42	Joback Calculated Property
Cp,gas	170.49	J/mol×K	461.39	Joback Calculated Property
Cp,gas	177.44	J/mol×K	490.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propyn-1-amine, N,N-dimethyl-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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