2-Propenoic acid, butyl ester
- Formula: C7H12O2
- Molecular weight: 128.1690
- IUPAC Standard InChIKey: CQEYYJKEWSMYFG-UHFFFAOYSA-N
- CAS Registry Number: 141-32-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Acrylic acid butyl ester; n-Butyl acrylate; Acrylic acid, n-butyl ester; Butyl acrylate; Butyl 2-propenoate; n-Butyl propenoate; Butylacrylate, inhibited; Butylester kyseliny akrylove; UN 2348
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Phase change data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 418.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 420.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 209.5 | K | N/A | Karabaev, Saidov, et al., 1985 | DH |
Tfus | 209.5 | K | N/A | Karabaev, Abduzhaminov, et al., 1985 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 644. | K | N/A | Steele, Chirico, et al., 1996 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 45.40 | bar | N/A | Steele, Chirico, et al., 1996 | Uncertainty assigned by TRC = 3.50 bar; from extraploation of obs. vapor pressures to Tc; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.339 | mol/l | N/A | Steele, Chirico, et al., 1996 | Uncertainty assigned by TRC = 0.12 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 47.31 ± 0.33 | kJ/mol | V | Steele, Chirico, et al., 1996 | ALS |
ΔvapH° | 47.3 | kJ/mol | N/A | Steele, Chirico, et al., 1996 | DRB |
ΔvapH° | 47.3 ± 0.3 | kJ/mol | EB | Steele, Chirico, et al., 1996 | Based on data from 318. to 419. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
45.7 ± 0.3 | 320. | EB | Steele, Chirico, et al., 1996 | Based on data from 318. to 419. K.; AC |
42.8 ± 0.3 | 360. | EB | Steele, Chirico, et al., 1996 | Based on data from 318. to 419. K.; AC |
40.0 ± 0.3 | 400. | EB | Steele, Chirico, et al., 1996 | Based on data from 318. to 419. K.; AC |
44.8 | 287. | A | Stephenson and Malanowski, 1987 | Based on data from 272. to 421. K. See also Stull, 1947.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
272.7 to 420.6 | 4.42683 | 1658.03 | -45.561 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
17.307 | 209.5 | Karabaev, Abduzhaminov, et al., 1985, 2 | DH |
17.31 | 209.5 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
82.61 | 209.5 | Karabaev, Abduzhaminov, et al., 1985, 2 | DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Karabaev, Saidov, et al., 1985
Karabaev, M.; Saidov, A.A.; Abduzhaminov, T.P.; Kenisarin, M.M.,
Heat capacity and molecular kinetic processes of condensed phase acrylates and methacrylates, Izv. Akad. Nauk UzSSR,
Ser. Fiz.-Math., 1985, (6), 51-54. [all data]
Karabaev, Abduzhaminov, et al., 1985
Karabaev, M.K.; Abduzhaminov, T.P.; Kenisarin, M.M.; Saidov, A.A.,
Thermodynamics of the crystal-liquid phase transition in acrylates and methacrylates.,
Izv. Akad. Nauk Uzb. SSR Ser., Fiz-Mat. Nauk, 1985, 1985, No. 5, 74-7. [all data]
Steele, Chirico, et al., 1996
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.,
Thermodynamic properties and ideal-gas enthalpies of formation for butyl vinyl ether, 1,2-dimethoxyethane, methyl glycolate, bicyclo[2.2.1]hept-2-ene, 5-vinylbicyclo[2.2.1]hept-2-ene, trans-azobenzene, butyl acrylate, di-tert-butyl ether, and hexane-1,6-diol,
J. Chem. Eng. Data, 1996, 41, 1285-1302. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Karabaev, Abduzhaminov, et al., 1985, 2
Karabaev, M.K.; Abduzhaminov, T.P.; Kenisarin, M.M.; Saidov, A.A.,
Thermodynamics of the crystal-liquid phase transition in acrylates and methacrylates, Izv. Akad. Nauk Uzb. SSR,
Ser. Fiz.-Mat. Nauk, 1985, (5), 74-77. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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