Chemical Properties of 2-Propenamide (CAS 79-06-1)

InChI

InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)

InChI Key

HRPVXLWXLXDGHG-UHFFFAOYSA-N

Formula

C3H5NO

SMILES

C=CC(N)=O

Molecular Weight¹

71.08

CAS

79-06-1

Other Names

• 2-Propeneamide
• Acrylic amide
• Akrylamid
• Amid kyseliny akrylove
• CH2CHCONH2
• Ethylenecarboxamide
• NSC 7785
• Propenoic acid, amide
• Rcra waste number U007
• UN 2074
• Vinyl amide
• acrylamide
• propenamide

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ω	0.4910		Relay (1.0) Calculated Property
PAff	870.70	kJ/mol	NIST
BasG	839.80	kJ/mol	NIST
ΔcH°solid	-1683.02 ± 0.26	kJ/mol	NIST
ΔfG°	-0.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-130.20 ± 1.70	kJ/mol	NIST
ΔfH°liquid	-224.00	kJ/mol	NIST
ΔfH°solid	-212.08 ± 0.30	kJ/mol	NIST
ΔfusH°	9.04	kJ/mol	Joback Calculated Property
ΔvapH°	39.00	kJ/mol	Relay (1.0) Calculated Property
IE	[9.50; 10.00]	eV
IE	9.50	eV	NIST
IE	9.60	eV	NIST
IE	10.00	eV	NIST
IE	9.99	eV	NIST
log10WS	0.97		Aq. Solubility Prediction
logPoct/wat	-0.342		Crippen Calculated Property
McVol	60.380	ml/mol	McGowan Calculated Property
Pc	5536.07	kPa	Joback Calculated Property
I	1943.00		NIST
Tboil	405.92	K	Relay (1.0) Calculated Property
Tc	625.81	K	Relay (1.0) Calculated Property
Tfus	357.32	K	Aq. Solubility Prediction
Vc	0.231	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	110.58	J/mol×K	298.15	NIST
ΔfusH	[15.33; 15.33]	kJ/mol	[358.00; 358.00]
ΔfusH	15.33	kJ/mol	358.00	NIST
ΔfusH	15.33	kJ/mol	358.00	NIST
ΔfusH	15.33	kJ/mol	358.00	NIST
ΔsubH	[81.80; 81.81]	kJ/mol	[330.00; 330.50]
ΔsubH	81.81	kJ/mol	330.00	NIST
ΔsubH	81.80	kJ/mol	330.50	NIST
ΔvapH	[61.50; 76.50]	kJ/mol	[385.00; 393.00]
ΔvapH	61.50	kJ/mol	385.00	NIST
ΔvapH	76.50	kJ/mol	393.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[80.61; 170.58]	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			1.10200e+01
Coefficient B			3.02700e-01
Coefficient C			-1.87000e-04
Coefficient D			4.38600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	80.61	J/mol×K	273.00	Calculated Property
Cp,gas	96.65	J/mol×K	353.78	Calculated Property
Cp,gas	110.85	J/mol×K	434.56	Calculated Property
Cp,gas	123.35	J/mol×K	515.33	Calculated Property
Cp,gas	134.30	J/mol×K	596.11	Calculated Property
Cp,gas	143.84	J/mol×K	676.89	Calculated Property
Cp,gas	152.09	J/mol×K	757.67	Calculated Property
Cp,gas	159.21	J/mol×K	838.44	Calculated Property
Cp,gas	165.33	J/mol×K	919.22	Calculated Property
Cp,gas	170.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.26; 156.99]	kPa	[357.65; 476.50]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			-3.50162e+03
Coefficient B			1.42129e+05
Coefficient C			5.38494e+02
Coefficient D			-4.94163e-04
Coefficient E			0.00000e+00
Temperature range, min.			357.65
Temperature range, max.			476.50
Pvap	0.26	kPa	357.65	Calculated Property
Pvap	0.49	kPa	370.86	Calculated Property
Pvap	1.02	kPa	384.06	Calculated Property
Pvap	2.29	kPa	397.27	Calculated Property
Pvap	5.24	kPa	410.47	Calculated Property
Pvap	11.84	kPa	423.68	Calculated Property
Pvap	25.62	kPa	436.88	Calculated Property
Pvap	51.73	kPa	450.09	Calculated Property
Pvap	95.27	kPa	463.29	Calculated Property
Pvap	156.99	kPa	476.50	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenamide.

Mixtures

• Carbon dioxide + 2-Propenamide

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Solubility of Ethanamide and 2-Propenamide in Supercritical Carbon Dioxide. Measurements and Correlation
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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