Chemical Properties of 2-Propenoic acid (CAS 79-10-7)

InChI

InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)

InChI Key

NIXOWILDQLNWCW-UHFFFAOYSA-N

Formula

C3H4O2

SMILES

C=CC(=O)O

Molecular Weight¹

72.06

CAS

79-10-7

Other Names

• ACROLEIC ACID
• ACRYLIC ACID
• CH2=CHCOOH
• ETHYLENECARBOXYLIC ACID
• Glacial acrylic acid
• Kyselina akrylova
• NSC 4765
• PROPENOIC ACID
• Propene acid
• Rcra waste number U008
• Vinylformic acid

• ω : Acentric Factor.
• T_ig : Autoignition Temperature (K).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• LFL : Lower Flammability Limit (% in Air).
• T_flash,cc : Flash Point (Closed Cup Method) (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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5600		KDB
Tig	463.15	K	KDB
ΔcH°liquid	[-1374.00; -1368.80]	kJ/mol
ΔcH°liquid	-1368.80 ± 1.80	kJ/mol	NIST
ΔcH°liquid	-1374.00 ± 11.00	kJ/mol	NIST
ΔcH°liquid	-1373.00 ± 5.00	kJ/mol	NIST
LFL	2.40	% in Air	KDB
Tflash,cc	320.93	K	KDB
ΔfG°	-286.30	kJ/mol	KDB
ΔfH°gas	[-336.90; -324.70]	kJ/mol
ΔfH°gas	-336.50	kJ/mol	KDB
ΔfH°gas	-330.70 ± 4.20	kJ/mol	NIST
ΔfH°gas	-324.70	kJ/mol	NIST
ΔfH°gas	-336.90 ± 2.30	kJ/mol	NIST
ΔfH°liquid	[-383.80; -377.80]	kJ/mol
ΔfH°liquid	-383.80 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-377.80 ± 9.30	kJ/mol	NIST
ΔfusH°	7.93	kJ/mol	Joback Calculated Property
ΔvapH°	[53.10; 57.30]	kJ/mol
ΔvapH°	53.10 ± 4.20	kJ/mol	NIST
ΔvapH°	53.10	kJ/mol	NIST
ΔvapH°	53.10 ± 4.20	kJ/mol	NIST
ΔvapH°	57.30	kJ/mol	NIST
ΔvapH°	57.30 ± 1.30	kJ/mol	NIST
IE	[10.60; 10.78]	eV
IE	10.60	eV	NIST
IE	10.60	eV	NIST
IE	10.60	eV	NIST
IE	10.78	eV	NIST
log10WS	-0.03		Crippen Calculated Property
logPoct/wat	0.257		Crippen Calculated Property
McVol	56.270	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	3		KDB
NFPA Safety	2		KDB
Pc	[5242.73; 5670.00]	kPa
Pc	5670.00	kPa	KDB
Pc	5242.73 ± 100.00	kPa	NIST
Tboil	[412.20; 414.80]	K
Tboil	414.00	K	KDB
Tboil	412.20	K	NIST
Tboil	414.80	K	NIST
Tboil	414.45	K	NIST
Tc	[615.00; 616.57]	K
Tc	615.00	K	KDB
Tc	616.57 ± 3.00	K	NIST
Tfus	[285.00; 290.00]	K
Tfus	285.00	K	KDB
Tfus	285.70	K	NIST
Tfus	285.70 ± 0.20	K	NIST
Tfus	285.45	K	NIST
Tfus	285.30 ± 0.60	K	NIST
Tfus	285.45 ± 0.50	K	NIST
Tfus	Outlier 290.00 ± 1.00	K	NIST
Vc	0.210	m3/kmol	KDB
Zc	0.2328580		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[96.30; 120.07]	J/mol×K	[410.77; 589.38]
T(K) Ideal gas heat capacity (J/mol×K) 95 100 105 110 115 120 450 500 550
Cp,gas	96.30	J/mol×K	410.77	Joback Calculated Property
Cp,gas	100.76	J/mol×K	440.54	Joback Calculated Property
Cp,gas	105.01	J/mol×K	470.31	Joback Calculated Property
Cp,gas	109.06	J/mol×K	500.08	Joback Calculated Property
Cp,gas	112.92	J/mol×K	529.84	Joback Calculated Property
Cp,gas	116.59	J/mol×K	559.61	Joback Calculated Property
Cp,gas	120.07	J/mol×K	589.38	Joback Calculated Property
Cp,liquid	[144.20; 145.70]	J/mol×K	[298.15; 300.00]
Cp,liquid	144.20	J/mol×K	298.15	NIST
Cp,liquid	145.70	J/mol×K	300.00	NIST
η	[0.0003216; 0.0336978]	Pa×s	[232.56; 410.77]
T(K) Dynamic viscosity (Pa×s) 0 5.00e-3 0.01 0.02 0.02 0.03 0.03 0.04 250 300 350 400
η	0.0336978	Pa×s	232.56	Joback Calculated Property
η	0.0100054	Pa×s	262.26	Joback Calculated Property
η	0.0038034	Pa×s	291.96	Joback Calculated Property
η	0.0017285	Pa×s	321.66	Joback Calculated Property
η	0.0008976	Pa×s	351.37	Joback Calculated Property
η	0.0005163	Pa×s	381.07	Joback Calculated Property
η	0.0003216	Pa×s	410.77	Joback Calculated Property
ΔfusH	[9.51; 11.16]	kJ/mol	[285.50; 285.70]
ΔfusH	11.16	kJ/mol	285.50	NIST
ΔfusH	11.16	kJ/mol	285.50	NIST
ΔfusH	9.51	kJ/mol	285.70	NIST
ΔvapH	[32.70; 46.02]	kJ/mol	[318.00; 414.00]
ΔvapH	32.70	kJ/mol	318.00	NIST
ΔvapH	45.30	kJ/mol	377.50	NIST
ΔvapH	46.02	kJ/mol	414.00	KDB
Pvap	20.00	kPa	368.40	Isobari...
ρl	[1051.00; 1059.17]	kg/m3	[293.00; 298.15]
ρl	1051.00	kg/m3	293.00	KDB
ρl	1051.22	kg/m3	293.15	Measure...
ρl	1059.17	kg/m3	298.15	Evaluat...
ΔfusS	33.30	J/mol×K	285.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.23; 217.66]	kPa	[286.65; 437.98]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.62275e+01
Coefficient B			-4.24500e+03
Coefficient C			-4.65410e+01
Temperature range, min.			286.65
Temperature range, max.			437.98
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400
Pvap	0.23	kPa	286.65	Calculated Property
Pvap	0.74	kPa	303.46	Calculated Property
Pvap	2.05	kPa	320.28	Calculated Property
Pvap	5.04	kPa	337.09	Calculated Property
Pvap	11.21	kPa	353.91	Calculated Property
Pvap	22.94	kPa	370.72	Calculated Property
Pvap	43.76	kPa	387.54	Calculated Property
Pvap	78.55	kPa	404.35	Calculated Property
Pvap	133.78	kPa	421.17	Calculated Property
Pvap	217.66	kPa	437.98	Calculated Property
Pvap	[0.25; 5692.11]	kPa	[286.65; 615.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.61842e+01
Coefficient B			-7.35729e+03
Coefficient C			-5.66895e+00
Coefficient D			2.19318e-06
Temperature range, min.			286.65
Temperature range, max.			615.00
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 6000 300 400 500 600
Pvap	0.25	kPa	286.65	Calculated Property
Pvap	2.43	kPa	323.13	Calculated Property
Pvap	14.11	kPa	359.62	Calculated Property
Pvap	57.07	kPa	396.10	Calculated Property
Pvap	177.26	kPa	432.58	Calculated Property
Pvap	451.95	kPa	469.07	Calculated Property
Pvap	991.15	kPa	505.55	Calculated Property
Pvap	1933.74	kPa	542.03	Calculated Property
Pvap	3441.24	kPa	578.52	Calculated Property
Pvap	5692.11	kPa	615.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid.

Mixtures

• 2-Propenoic acid + Cyclohexane + Water
• Toluene + 2-Propenoic acid
• 2-Propenoic acid + Cyclohexane
• Methyl Isobutyl Ketone + 2-Propenoic acid + Water
• Toluene + 2-Propenoic acid + Water
• 2-Propenoic acid + o-Xylene + Water
• p-Xylene + 2-Propenoic acid + Water
• 2-Propenoic acid + Cyclopentane,methoxy- + Water
• 2-Propenoic acid + Cyromazine
• Urea + 2-Propenoic acid + Water
• 1-Butanol + 2-Propenoic acid + Water
• Hexanoic acid + 2-Propenoic acid + Water
• 1-Pentanol + 2-Propenoic acid + Water
• Isobutyl acetate + 2-Propenoic acid + Water

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Solubility determination and correlation of cyromazine in sixteen pure solvents and mixing properties of solutions
• (Liquid + liquid) equilibria in {water + acrylic acid + (1-butanol, or 2-butanol, or 1-pentanol)} systems at T = 293.2 K, T = 303.2 K, and T = 313.2 K and atmospheric pressure
• Measurement and modelling of urea solubility in aqueous propane-1,2,3-triol and prop-2-enoic acid solutions
• Isobaric Vapor Liquid Liquid Equilibrium for Water + Cyclohexane + Acrylic Acid at 200 mmHg
• Ternary Liquid Liquid Equilibria of Water + Prop-2-enoic Acid + Isobutyl Ethanoate at Different Temperatures
• Isobaric Vapor Liquid Equilibrium for Binary Systems of Toluene + Acrylic Acid, Toluene + Acetic Acid, and Cyclohexane + Acrylic Acid at 20 kPa
• Evaluation of the Performance of Four Solvents for the Liquid Liquid Extraction of Acrylic Acid from Water
• Measurements and Comparative Study of Ternary Liquid Liquid Equilibria for Water + Acrylic Acid + Cyclopentyl Methyl Ether at (293.15, 303.15, and 313.15) K and 100.249 kPa
• Liquid Liquid Equilibria of the Ternary System Water + Acrylic Acid + 4-Methyl-2-pentanone at 298.15 K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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