Chemical Properties of 2-Propanamine, N-methyl- (CAS 4747-21-1)

InChI

InChI=1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3

InChI Key

XHFGWHUWQXTGAT-UHFFFAOYSA-N

Formula

C4H11N

SMILES

CNC(C)C

Molecular Weight¹

73.14

CAS

4747-21-1

Other Names

• 2-Methylaminopropane
• Ethylamine, N,1-dimethyl-
• Isopropylmethylamine
• Methylisopropylamine
• N-Isopropylmethylamine
• N-Methylisopropylamine

• 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).
• IE : Ionization energy (eV).
• 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
PAff	952.40	kJ/mol	NIST
BasG	919.40	kJ/mol	NIST
ΔfH°gas	-59.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.69	kJ/mol	Joback Calculated Property
ΔvapH°	[30.70; 30.93]	kJ/mol
ΔvapH°	30.93	kJ/mol	NIST
ΔvapH°	30.70 ± 0.10	kJ/mol	NIST
IE	8.10	eV	Relay (1.0) Calculated Property
logPoct/wat	0.614		Crippen Calculated Property
McVol	77.200	ml/mol	McGowan Calculated Property
Pc	4000.70	kPa	Joback Calculated Property
Inp	[542.00; 542.00]
Inp	542.00		NIST
Inp	542.00		NIST
Tboil	[323.50; 324.70]	K
Tboil	324.70	K	NIST
Tboil	323.50	K	NIST
Tc	490.70	K	NIST
Tfus	206.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[128.49; 177.63]	J/mol×K	[340.85; 515.40]
Cp,gas	128.49	J/mol×K	340.85	Joback Calculated Property
Cp,gas	137.48	J/mol×K	369.94	Joback Calculated Property
Cp,gas	146.14	J/mol×K	399.03	Joback Calculated Property
Cp,gas	154.47	J/mol×K	428.12	Joback Calculated Property
Cp,gas	162.50	J/mol×K	457.22	Joback Calculated Property
Cp,gas	170.21	J/mol×K	486.31	Joback Calculated Property
Cp,gas	177.63	J/mol×K	515.40	Joback Calculated Property
ΔvapH	[27.10; 30.90]	kJ/mol	[306.00; 343.00]
ΔvapH	30.90	kJ/mol	306.00	NIST
ΔvapH	29.50 ± 0.10	kJ/mol	313.00	NIST
ΔvapH	28.71	kJ/mol	323.50	NIST
ΔvapH	27.10 ± 0.10	kJ/mol	343.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[255.42; 343.54]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.25026e+01
Coefficient B			-1.54067e+03
Coefficient C			-1.29290e+02
Temperature range, min.			255.42
Temperature range, max.			343.54
Pvap	1.33	kPa	255.42	Calculated Property
Pvap	3.21	kPa	265.21	Calculated Property
Pvap	6.88	kPa	275.00	Calculated Property
Pvap	13.40	kPa	284.79	Calculated Property
Pvap	24.09	kPa	294.58	Calculated Property
Pvap	40.57	kPa	304.38	Calculated Property
Pvap	64.66	kPa	314.17	Calculated Property
Pvap	98.33	kPa	323.96	Calculated Property
Pvap	143.64	kPa	333.75	Calculated Property
Pvap	202.68	kPa	343.54	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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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