Chemical Properties of 2-Propenoic acid, butyl ester (CAS 141-32-2)

InChI

InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3

InChI Key

CQEYYJKEWSMYFG-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

C=CC(=O)OCCCC

Molecular Weight¹

128.17

CAS

141-32-2

Other Names

• 2-PROPENOIC ACID BUTYL ESTER
• Acrylic acid butyl ester
• Acrylic acid, n-butyl ester
• BUTYL-2-PROPENOATE
• Butylacrylate, inhibited
• Butylester kyseliny akrylove
• UN 2348
• acrylic acid, butyl ester
• butyl 2-propenoate
• butyl acrylate
• butyl propenoate
• n-Butyl propenoate
• n-butyl acrylate
• propenoic acid, butyl ester

• ω : Acentric Factor.
• 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).
• 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).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4901		Relay (1.0) Calculated Property
ΔcH°liquid	-4046.96 ± 0.58	kJ/mol	NIST
ΔfH°gas	[-381.10; -375.30]	kJ/mol
ΔfH°gas	-375.30 ± 0.80	kJ/mol	NIST
ΔfH°gas	-381.10	kJ/mol	NIST
ΔfH°liquid	[-428.40; -422.60]	kJ/mol
ΔfH°liquid	-422.60 ± 0.70	kJ/mol	NIST
ΔfH°liquid	-428.40	kJ/mol	NIST
ΔfusH°	16.98	kJ/mol	Joback Calculated Property
ΔvapH°	[47.30; 47.31]	kJ/mol
ΔvapH°	47.31 ± 0.33	kJ/mol	NIST
ΔvapH°	47.30	kJ/mol	NIST
ΔvapH°	47.30 ± 0.30	kJ/mol	NIST
IE	10.23	eV	Relay (1.0) Calculated Property
log10WS	-1.79		Relay (1.0) Calculated Property
logPoct/wat	1.516		Crippen Calculated Property
McVol	112.630	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	2		KDB
NFPA Safety	2		KDB
Pc	[2840.00; 4540.00]	kPa
Pc	2840.00	kPa	Critical Point and Vapor Pressure Measurements for 17 Compounds by a Low Residence Time Flow Method
Pc	4540.00 ± 350.00	kPa	NIST
ρc	299.79 ± 15.38	kg/m3	NIST
Inp	[850.00; 902.00]
Inp	875.00		NIST
Inp	876.00		NIST
Inp	878.00		NIST
Inp	873.00		NIST
Inp	Outlier 850.00		NIST
Inp	861.00		NIST
Inp	878.00		NIST
Inp	878.00		NIST
Inp	878.00		NIST
Inp	883.00		NIST
Inp	858.00		NIST
Inp	902.00		NIST
Inp	902.00		NIST
Inp	892.00		NIST
Inp	883.00		NIST
Inp	875.00		NIST
Inp	861.00		NIST
Inp	892.00		NIST
I	[1169.00; 1197.00]
I	1175.00		NIST
I	1178.00		NIST
I	1169.00		NIST
I	1197.00		NIST
I	1197.00		NIST
I	1197.00		NIST
I	1197.00		NIST
I	1189.00		NIST
I	1189.00		NIST
Tboil	[418.20; 421.95]	K
Tboil	418.20	K	NIST
Tboil	420.20	K	NIST
Tboil	421.95	K	NIST
Tc	644.00 ± 3.00	K	NIST
Tfus	[209.15; 209.50]	K
Tfus	209.50	K	NIST
Tfus	209.50 ± 0.50	K	NIST
Tfus	209.15	K	NIST
Vc	0.422	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	251.00	J/mol×K	298.15	NIST
ΔfusH	[17.31; 17.31]	kJ/mol	[209.50; 209.50]
ΔfusH	17.31	kJ/mol	209.50	NIST
ΔfusH	17.31	kJ/mol	209.50	NIST
ΔfusH	17.31	kJ/mol	209.50	NIST
ΔvapH	[40.00; 45.70]	kJ/mol	[346.50; 368.50]
ΔvapH	44.80	kJ/mol	346.50	NIST
ΔvapH	45.70 ± 0.30	kJ/mol	368.50	NIST
ΔvapH	42.80 ± 0.30	kJ/mol	368.50	NIST
ΔvapH	40.00 ± 0.30	kJ/mol	368.50	NIST
n0	[1.40690; 1.41190]		[298.15; 313.15]
n0	1.41190		298.15	Volumetric, Viscometric, Ultrasonic, and Refractive Index Properties of Liquid Mixtures of Benzene with Industrially Important Monomers at Different Temperatures
n0	1.41020		303.15	Volumetric, Viscometric, Ultrasonic, and Refractive Index Properties of Liquid Mixtures of Benzene with Industrially Important Monomers at Different Temperatures
n0	1.40840		308.15	Volumetric, Viscometric, Ultrasonic, and Refractive Index Properties of Liquid Mixtures of Benzene with Industrially Important Monomers at Different Temperatures
n0	1.40690		313.15	Volumetric, Viscometric, Ultrasonic, and Refractive Index Properties of Liquid Mixtures of Benzene with Industrially Important Monomers at Different Temperatures
ρl	[853.75; 913.92]	kg/m3	[278.15; 338.15]
ρl	913.92	kg/m3	278.15	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	911.47	kg/m3	280.65	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	908.99	kg/m3	283.15	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	906.51	kg/m3	285.65	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	903.60	kg/m3	288.15	Densities and Volumetric Properties of Binary Mixtures of Butyl Acrylate with Benzene, Toluene, o-Xylene, m-Xylene, p-Xylene, and Mesitylene at Temperatures from 288.15 K to 318.15 K
ρl	904.04	kg/m3	288.15	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	901.56	kg/m3	290.65	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	898.85	kg/m3	293.15	Densities and Volumetric Properties of Binary Mixtures of Butyl Acrylate with Benzene, Toluene, o-Xylene, m-Xylene, p-Xylene, and Mesitylene at Temperatures from 288.15 K to 318.15 K
ρl	899.07	kg/m3	293.15	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	896.59	kg/m3	295.65	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	893.96	kg/m3	298.15	Densities and volumes of mixing of the ternary system toluene + butyl acrylate + methyl methacrylate and its binaries at 298.15 K
ρl	893.95	kg/m3	298.15	Volumetric Properties of 3-Methylbutyl Ethanoate with Ethyl Acrylate, Butyl Acrylate, Methyl Methacrylate, and Styrene at 25 C
ρl	894.10	kg/m3	298.15	Densities and volumetric properties of binary mixtures of N,N-dimethylformamide/N,N-dimethylacetamide with some alkyl acrylates at temperatures from 288.15 K to 318.15 K
ρl	894.10	kg/m3	298.15	Densities and Volumetric Properties of Binary Mixtures of Butyl Acrylate with Benzene, Toluene, o-Xylene, m-Xylene, p-Xylene, and Mesitylene at Temperatures from 288.15 K to 318.15 K
ρl	894.10	kg/m3	298.15	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	891.61	kg/m3	300.65	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	889.35	kg/m3	303.15	Densities and Volumetric Properties of Binary Mixtures of Butyl Acrylate with Benzene, Toluene, o-Xylene, m-Xylene, p-Xylene, and Mesitylene at Temperatures from 288.15 K to 318.15 K
ρl	889.11	kg/m3	303.15	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	886.61	kg/m3	305.65	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	884.11	kg/m3	308.15	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	884.60	kg/m3	308.15	Densities and Volumetric Properties of Binary Mixtures of Butyl Acrylate with Benzene, Toluene, o-Xylene, m-Xylene, p-Xylene, and Mesitylene at Temperatures from 288.15 K to 318.15 K
ρl	881.61	kg/m3	310.65	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	879.85	kg/m3	313.15	Densities and Volumetric Properties of Binary Mixtures of Butyl Acrylate with Benzene, Toluene, o-Xylene, m-Xylene, p-Xylene, and Mesitylene at Temperatures from 288.15 K to 318.15 K
ρl	879.10	kg/m3	313.15	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	876.58	kg/m3	315.65	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	875.10	kg/m3	318.15	Densities and Volumetric Properties of Binary Mixtures of Butyl Acrylate with Benzene, Toluene, o-Xylene, m-Xylene, p-Xylene, and Mesitylene at Temperatures from 288.15 K to 318.15 K
ρl	874.07	kg/m3	318.15	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	871.55	kg/m3	320.65	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	869.02	kg/m3	323.15	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	866.49	kg/m3	325.65	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	863.95	kg/m3	328.15	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	861.41	kg/m3	330.65	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	858.86	kg/m3	333.15	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	856.31	kg/m3	335.65	Thermophysical Properties of Three Compounds from the Acrylate Family
ρl	853.75	kg/m3	338.15	Thermophysical Properties of Three Compounds from the Acrylate Family
ΔfusS	82.61	J/mol×K	209.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.51; 360.06]	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			1.89430e+01
Coefficient B			5.94020e-01
Coefficient C			-2.85300e-04
Coefficient D			3.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.51	J/mol×K	273.00	Calculated Property
Cp,gas	194.82	J/mol×K	353.78	Calculated Property
Cp,gas	225.86	J/mol×K	434.56	Calculated Property
Cp,gas	253.73	J/mol×K	515.33	Calculated Property
Cp,gas	278.53	J/mol×K	596.11	Calculated Property
Cp,gas	300.36	J/mol×K	676.89	Calculated Property
Cp,gas	319.33	J/mol×K	757.67	Calculated Property
Cp,gas	335.53	J/mol×K	838.44	Calculated Property
Cp,gas	349.08	J/mol×K	919.22	Calculated Property
Cp,gas	360.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053481; 0.0001953]	Pa×s	[209.38; 450.80]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.14116e+01
Coefficient B			1.29412e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			209.38
Temperature range, max.			450.80
η	0.0053481	Pa×s	209.38	Calculated Property
η	0.0026508	Pa×s	236.21	Calculated Property
η	0.0015161	Pa×s	263.03	Calculated Property
η	0.0009616	Pa×s	289.86	Calculated Property
η	0.0006588	Pa×s	316.68	Calculated Property
η	0.0004788	Pa×s	343.50	Calculated Property
η	0.0003645	Pa×s	370.33	Calculated Property
η	0.0002878	Pa×s	397.15	Calculated Property
η	0.0002342	Pa×s	423.98	Calculated Property
η	0.0001953	Pa×s	450.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[317.14; 442.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.57206e+01
Coefficient B			-3.99833e+03
Coefficient C			-5.80630e+01
Temperature range, min.			317.14
Temperature range, max.			442.18
Pvap	1.33	kPa	317.14	Calculated Property
Pvap	2.92	kPa	331.03	Calculated Property
Pvap	5.94	kPa	344.93	Calculated Property
Pvap	11.32	kPa	358.82	Calculated Property
Pvap	20.36	kPa	372.71	Calculated Property
Pvap	34.84	kPa	386.61	Calculated Property
Pvap	57.08	kPa	400.50	Calculated Property
Pvap	89.99	kPa	414.39	Calculated Property
Pvap	137.11	kPa	428.29	Calculated Property
Pvap	202.64	kPa	442.18	Calculated Property
Pvap	[2.25e-04; 2641.37]	kPa	[208.55; 598.00]	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			6.67290e+01
Coefficient B			-7.34218e+03
Coefficient C			-7.50837e+00
Coefficient D			4.00837e-06
Coefficient E			0.00000e+00
Temperature range, min.			208.55
Temperature range, max.			598.00
Pvap	2.25e-04	kPa	208.55	Calculated Property
Pvap	0.03	kPa	251.82	Calculated Property
Pvap	0.60	kPa	295.09	Calculated Property
Pvap	5.81	kPa	338.37	Calculated Property
Pvap	31.22	kPa	381.64	Calculated Property
Pvap	113.70	kPa	424.91	Calculated Property
Pvap	316.53	kPa	468.18	Calculated Property
Pvap	728.07	kPa	511.46	Calculated Property
Pvap	1458.75	kPa	554.73	Calculated Property
Pvap	2641.37	kPa	598.00	Calculated Property
Pvap	[0.13; 101.36]	kPa	[272.70; 420.60]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47983e+01
Coefficient B			-3.81776e+03
Coefficient C			-4.55610e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			272.70
Temperature range, max.			420.60
Pvap	0.13	kPa	272.70	Calculated Property
Pvap	0.42	kPa	289.13	Calculated Property
Pvap	1.12	kPa	305.57	Calculated Property
Pvap	2.69	kPa	322.00	Calculated Property
Pvap	5.83	kPa	338.43	Calculated Property
Pvap	11.65	kPa	354.87	Calculated Property
Pvap	21.72	kPa	371.30	Calculated Property
Pvap	38.13	kPa	387.73	Calculated Property
Pvap	63.57	kPa	404.17	Calculated Property
Pvap	101.36	kPa	420.60	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, butyl ester.

Mixtures

• Formamide, N,N-dimethyl- + 2-Propenoic acid, butyl ester
• N,N-Dimethylacetamide + 2-Propenoic acid, butyl ester
• 2-Propenoic acid, butyl ester + Tetrahydrofuran
• Toluene + 2-Propenoic acid, butyl ester
• Methyl methacrylate + 2-Propenoic acid, butyl ester
• Toluene + Methyl methacrylate + 2-Propenoic acid, butyl ester
• Acetonitrile + 2-Propenoic acid, butyl ester
• Benzene + 2-Propenoic acid, butyl ester
• 1-Butanol, 3-methyl-, acetate + 2-Propenoic acid, butyl ester
• 2-Propenoic acid, butyl ester + o-Xylene
• Benzene, 1,3-dimethyl- + 2-Propenoic acid, butyl ester
• p-Xylene + 2-Propenoic acid, butyl ester
• 2-Propenoic acid, butyl ester + Mesitylene

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Volumetric Properties of 3-Methylbutyl Ethanoate with Ethyl Acrylate, Butyl Acrylate, Methyl Methacrylate, and Styrene at 25 C
• Volumetric, Viscometric, Ultrasonic, and Refractive Index Properties of Liquid Mixtures of Benzene with Industrially Important Monomers at Different Temperatures
• Densities and Volumetric Properties of Binary Mixtures of Butyl Acrylate with Benzene, Toluene, o-Xylene, m-Xylene, p-Xylene, and Mesitylene at Temperatures from 288.15 K to 318.15 K
• Densities and volumes of mixing of the ternary system toluene + butyl acrylate + methyl methacrylate and its binaries at 298.15 K
• Ultrasonic velocities, densities, and excess molar volumes of binary mixtures of N,N-dimethyl formamide with methyl acrylate, or ethyl acrylate, or butyl acrylate, or 2-ethyl hexyl acrylate at T = 308.15 K
• Densities and volumetric properties of binary mixtures of N,N-dimethylformamide/N,N-dimethylacetamide with some alkyl acrylates at temperatures from 288.15 K to 318.15 K
• Densities and volumetric properties of (acetonitrile + alkyl acrylate monomer) binary mixtures at temperatures from 293.15 K to 318.15 K
• Temperature and concentration dependence of volumetric properties of (tetrahydrofuran + methyl acrylate, or + ethyl acrylate, or + n-butyl acrylate, or + tert-butyl acrylate) binary mixtures
• Critical Point and Vapor Pressure Measurements for 17 Compounds by a Low Residence Time Flow Method
• Thermophysical Properties of Three Compounds from the Acrylate Family
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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