2-Propenoic acid, 3-phenyl-, methyl ester
- Formula: C10H10O2
- Molecular weight: 162.1852
- IUPAC Standard InChI: InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3
- IUPAC Standard InChIKey: CCRCUPLGCSFEDV-UHFFFAOYSA-N
- CAS Registry Number: 103-26-4
- 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. - Stereoisomers:
- Other names: Cinnamic acid, methyl ester; Methyl cinnamate; Methyl cinnamylate; Methyl 3-phenylpropenoate; Methyl 3-phenyl-2-propenoate; Methyl 3-phenylacrylate; Methyl ester of cinnamic acid; 3-Phenyl-2-propenoic acid methyl ester; Methyl 3-phenylprop-2-enoate; NSC 9411; SemaSORB 9815; 3-Phenyl-2-propenoic acid methyl ester (methyl cinnamate); methyl cinnamate (isomer)
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Phase change data
Go To: Top, Gas Chromatography, 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 534.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 308. | K | N/A | Padoa, 1919 | Uncertainty assigned by TRC = 1.5 K; TRC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 59.9 ± 0.2 | 420. | EB | Steele, Chirico, et al., 2002 | Based on data from 409. to 557. K.; AC |
| 56.9 ± 0.2 | 460. | EB | Steele, Chirico, et al., 2002 | Based on data from 409. to 557. K.; AC |
| 53.8 ± 0.3 | 500. | EB | Steele, Chirico, et al., 2002 | Based on data from 409. to 557. K.; AC |
| 50.5 ± 0.5 | 540. | EB | Steele, Chirico, et al., 2002 | Based on data from 409. to 557. K.; AC |
| 62.4 | 303. | A | Stephenson and Malanowski, 1987 | Based on data from 288. to 333. K.; AC |
| 58.3 | 365. | A | Stephenson and Malanowski, 1987 | Based on data from 350. to 536. K. See also Stull, 1947.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 350.6 to 536. | 4.64009 | 2243.3 | -52.034 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 33.1 | 309. | Steele, Chirico, et al., 2002 | AC |
Gas Chromatography
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1370.5 | El-Massry, El-Ghorab, et al., 2002 | 30. m/0.25 mm/0.5 μm, 50. C @ 3. min, 7. K/min, 250. C @ 10. min |
| Capillary | HP-5 | 1394. | Juliani and Simon, 2002 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 1. min, 4. K/min, 200. C @ 15. min |
| Capillary | BP-1 | 1365. | Raina, Srivastava, et al., 2002 | 25. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
| Capillary | HP-1 | 1370. | Raharivelomanana, Cambon, et al., 1993 | 6. K/min, 240. C @ 10. min; Column length: 15. m; Column diameter: 0.32 mm; Tstart: 40. C |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 2050. | Buttery, Kamm, et al., 1982 | He, 50. C @ 30. min, 1. K/min; Column length: 150. m; Column diameter: 0.64 mm; Tend: 170. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1397. | Cho, Namgung, et al., 2008 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min, 200. C @ 10. min |
| Capillary | DB-5 | 1373. | Alves, Pinto, et al., 2005 | 30. m/0.25 mm/0.25 μm, H2, 5. K/min, 270. C @ 20. min; Tstart: 35. C |
| Capillary | DB-1 | 1380. | bin Jantan, Yalvema, et al., 2005 | 25. m/0.25 mm/0.25 μm, 60. C @ 10. min, 3. K/min, 180. C @ 10. min |
| Capillary | DB-5 | 1378. | bin Jantan, Yassin, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 75. C @ 10. min, 3. K/min; Tend: 230. C |
| Capillary | SE-30 | 1378. | bin Jantan, Basni, et al., 2001 | N2, 60. C @ 10. min, 3. K/min, 180. C @ 1. min; Column length: 25. m; Column diameter: 0.20 mm |
| Capillary | HP-5 | 1389. | Shalit, Katzir, et al., 2001 | He, 50. C @ 1. min, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
| Capillary | BP-1 | 1343. | Tan, Wilkins, et al., 1989 | H2, 40. C @ 2. min, 4. K/min, 240. C @ 75. min; Column length: 12. m |
| Capillary | OV-1 | 1350. | Tan, Holland, et al., 1988 | He, 8. K/min, 280. C @ 10. min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 40. C |
| Capillary | OV-1 | 1363. | Schreyen, Dirinck, et al., 1976 | 1. K/min; Column length: 183. m; Column diameter: 0.762 mm; Tstart: 0. C; Tend: 230. C |
| Packed | SE-30 | 1363. | van den Dool and Kratz, 1963 | Celite; Tstart: 75. C; Tend: 228. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-52 | 1379. | Sacchetti, Guerrini, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C(10min) |
| Capillary | 5 % Phenyl methyl siloxane | 1379. | Sacchetti, Maietti, et al., 2005 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2103. | Cho, Namgung, et al., 2008 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min, 200. C @ 10. min |
| Capillary | DB-Wax | 2070. | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 250. C @ 15. min |
| Capillary | DB-Wax | 2103. | Cho, Choi, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min, 200. C @ 10. min |
| Capillary | DB-Wax | 2095. | Cho, Choi, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min, 200. C @ 10. min |
| Capillary | DB-Wax | 2056. | Osorio, Alarcon, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min |
| Capillary | OV-351 | 2020. | Bonvehí, 2005 | 50. m/0.32 mm/0.2 μm, He, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | OV-351 | 2020. | Bonvehi and Coll, 2003 | 50. m/0.32 mm/0.2 μm, He, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-Wax | 2080. | Brophy, Goldsack, et al., 2000 | 60. m/0.53 mm/1.0 μm, He, 3. K/min; Tstart: 50. C; Tend: 220. C |
| Capillary | Carbowax 20M | 2040. | Suárez and Duque, 1991 | 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C |
| Capillary | Carbowax 20M | 2050. | Suárez and Duque, 1991 | 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C |
| Packed | Carbowax 20M | 2065. | van den Dool and Kratz, 1963 | Celite 545, 4.6 K/min; Tstart: 75. C; Tend: 228. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Wax 52CB | 2078. | Romeo, Ziino, et al., 2007 | 60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1402. | Bousaada, Ammar, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min |
| Capillary | DBP-5 | 1344. | Heravi and Sereshti, 2007 | 25. m/0.25 mm/0.22 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 10. min |
| Capillary | DBP-5 | 1344. | Sereshti and Samadi, 2007 | 25. m/0.25 mm/0.22 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 10. min |
| Capillary | HP-5 | 1386. | Bertrand, Comte, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 250. C |
| Capillary | DB-5 | 1379. | Fadel, Mageed, et al., 2006 | He, 50. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 250. C |
| Capillary | BP-1 | 1342. | Kiran, Bhavani, et al., 2006 | Helium, 5. K/min, 220. C @ 6. min; Tstart: 60. C |
| Capillary | HP-5MS | 1388. | Robinson, 2006 | 30. m/0.25 mm/0.25 μm, 50. C @ 5. min, 10. K/min; Tend: 250. C |
| Capillary | DB-1 | 1365. | Tohar, Mohd, et al., 2006 | 30. m/0.32 mm/0.25 μm, 60. C @ 3. min, 3. K/min, 230. C @ 10. min |
| Capillary | ZB-5 | 1399. | Jürgens and Dötterl, 2004 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4.6 min, 6. K/min, 260. C @ 1. min |
| Capillary | DB-1 | 1342. | Park, Lee, et al., 2004 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
| Capillary | DB-1 | 1343. | Park, Lee, et al., 2004 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
| Capillary | DB-1 | 1344. | Park, Lee, et al., 2004 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
| Capillary | DB-1 | 1348. | Park, Lee, et al., 2004 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
| Capillary | DB-1 | 1346. | Sefidkon, Jalili, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | Ultra-1 | 1343. | Iwaoka, Zhang, et al., 1993 | 50. m/0.31 mm/0.17 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
| Capillary | OV-101 | 1339. | Zenkevich and Kulikova, 1993 | He, 3. K/min; Column length: 54. m; Column diameter: 0.26 mm; Tstart: 50. C; Tend: 230. C |
| Capillary | DB-1 | 1348. | Binder, Benson, et al., 1990 | 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-5 MS | 1380. | Nadaf, Halimi, et al., 2012 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (6 min) 5 0C/min -> 150 0C 10 0C/min -> 280 0C (3 min) |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 1397. | Robinson, Adams, et al., 2012 | Program: not specified |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 1399. | Robinson, Adams, et al., 2012 | Program: not specified |
| Capillary | HP-5 | 1377. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
| Capillary | HP-5 | 1389. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
| Capillary | HP-1 | 1347. | Barra, Baldovini, et al., 2007 | 50. m/0.2 mm/0.33 μm, He; Program: 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) |
| Capillary | SE-52 | 1379. | Tognolini, Barocelli, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | SE-30 | 1352. | Vinogradov, 2004 | Program: not specified |
| Capillary | HP-1 | 1336. | Rowland, Blackman, et al., 1995 | 25. m/0.25 mm/0.25 μm; Program: 30 0C (4 min) 6 K/min -> 200 0C 15 K/min -> 250 0C (20 min) |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 2051. | Bousaada, Ammar, et al., 2008 | 30. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min |
| Capillary | DB-Wax | 2045. | Schirack, Drake, et al., 2006 | 30. m/0.25 mm/0.25 μm, 40. C @ 3. min, 8. K/min, 200. C @ 20. min |
| Capillary | DB-Wax | 2073. | Lee, Umano, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C |
| Capillary | DB-Wax | 2071. | Jiang and Kubota, 2004 | He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
| Capillary | DB-Wax | 2071. | Jiang and Kubota, 2004 | He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
| Capillary | FFAP | 2062. | Ducruet, Fournier, et al., 2001 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 3. K/min; Tend: 240. C |
| Capillary | DB-Wax | 2024. | Weckerle, Bastl-Borrmann, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 220. C |
| Capillary | DB-Wax | 2047. | Takeoka, Buttery, et al., 1991 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min, 180. C @ 25. min |
| Capillary | DB-Wax | 2068. | Binder, Benson, et al., 1990 | 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C |
| Capillary | Carbowax 20M | 2050. | Buttery, Kamm, et al., 1984 | 1. K/min, 170. C @ 30. min; Column length: 150. m; Column diameter: 0.64 mm; Tstart: 50. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2078. | Gyawali and Kim, 2012 | 60. m/0.20 mm/0.25 μm, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C |
| Capillary | Innowax | 2050. | Noorizadeh, Farmany, et al., 2011 | 60. m/0.25 mm/0.33 μm; Program: not specified |
| Capillary | DB-FFAP | 2056. | Buettner and Mestres, 2005 | 30. m/0.32 mm/0.25 μm; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min=230C(10min) |
| Capillary | Carbowax 20M | 2051. | Vinogradov, 2004 | Program: not specified |
| Capillary | DB-Wax | 2051. | Miranda, Nogueira, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 25 0C (0.5 min) 50 K/min -> 50 0C 3.5 K/min -> 150 0C 7.5 K/min -> 240 0C |
| Capillary | Carbowax 20M | 2050. | Peppard and Ramus, 1988 | He; Program: not specified |
| Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 2065. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
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