2-Propen-1-ol, 3-phenyl-
- Formula: C9H10O
- Molecular weight: 134.1751
- IUPAC Standard InChI: InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2
- IUPAC Standard InChIKey: OOCCDEMITAIZTP-UHFFFAOYSA-N
- CAS Registry Number: 104-54-1
- 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: Cinnamyl alcohol; γ-Phenylallyl alcohol; Cinnamic alcohol; Phenyl-2-propen-1-ol; Styrone; Styryl carbinol; 3-Phenylallyl alcohol; 1-Phenyl-1-propen-3-ol; 3-Phenyl-2-propen-1-ol; 3-Phenyl-2-propenol; Alkohol skoricovy; 3-Fenyl-2-propen-1-ol; Phenylallyl alcohol; 3-phenylprop-2-en-1-ol; 1-Phenylprop-1-en-3-ol; NSC 8775; Styryl alcohol
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
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Phase change data
Go To: Top, Gas phase ion energetics data, 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 | 523.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Tboil | 530.65 | K | N/A | Perkin, 1896 | Uncertainty assigned by TRC = 1.5 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 308. | K | N/A | Chickos, Braton, et al., 1991 | Uncertainty assigned by TRC = 1. K; TRC |
| Tfus | 307.85 | K | N/A | Serpinskii, Voitkevich, et al., 1958 | Uncertainty assigned by TRC = 1. K; TRC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 16.3 ± 0.02 | 310. | TG,DTA | Sorokina, Dollimore, et al., 2002 | Based on data from 295. to 325. K.; AC |
| 19.1 | 319. | A | Stephenson and Malanowski, 1987 | Based on data from 310. to 328. K.; AC |
| 13.4 | 388. | A | Stephenson and Malanowski, 1987 | Based on data from 373. to 523. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 345.8 to 523. | 5.01640 | 2440.762 | -36.713 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 3.760 | 308.2 | Chickos, Braton, et al., 1991, 2 | AC |
Gas phase ion energetics data
Go To: Top, Phase change data, 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 by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
View reactions leading to C9H10O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.1 ± 0.2 | EI | Denhez and Audier, 1984 |
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics 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, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 120. | 1272. | Tudor and Moldovan, 1999 | |
| Capillary | SE-30 | 100. | 1271.8 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 1300. | Jayaprakasha, Rao, et al., 2000 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 2. min, 2. K/min, 225. C @ 5. min |
| Capillary | SPB-1 | 1304. | Jayaprakasha, Jaganmohan Rao, et al., 1997 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 2. min, 5. K/min, 250. C @ 5. min |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 2300. | Nishimura, Yamaguchi, et al., 1989 | 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1312. | Choi, 2005 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-5 | 1312. | Choi, 2003 | 30. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | Methyl Silicone | 1277. | Analytical Methods Committee, 1997 | 4. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-1 | 1304. | Stashenko, Prada, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3.5 K/min; Tend: 250. C |
| Capillary | DB-1 | 1268.2 | Chang, Sheng, et al., 1989 | 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
| Capillary | DB-1 | 1269.9 | Chang, Sheng, et al., 1989 | 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
| Capillary | DB-1 | 1269.9 | Chang, Sheng, et al., 1989 | 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
| Capillary | DB-1 | 1270.1 | Chang, Sheng, et al., 1989 | 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
| Capillary | BP-1 | 1265. | Tan, Wilkins, et al., 1989 | H2, 40. C @ 2. min, 4. K/min, 240. C @ 75. min; Column length: 12. m |
| Packed | SE-30 | 1295. | 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 | SLB-5MS | 1309. | Mondello, Sciarrone, et al., 2007 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax Etr | 2286. | Aubert C. and Pitrat M., 2006 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 5. K/min, 250. C @ 15. min |
| Capillary | DB-Wax | 2306. | Choi, 2005 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 2300. | Choi, 2003 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 2303. | Choi and Sawamura, 2000 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | Supelcowax-10 | 2294. | Chung, 2000 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 195. C @ 90. min; Tstart: 35. C |
| Capillary | DB-Wax | 2252. | Chassagne, Boulanger, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 3. min, 2. K/min; Tend: 220. C |
| Capillary | DB-Wax | 2266. | Möllenbeck, König, et al., 1997 | 25. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C |
| Capillary | DB-Wax | 2274. | Iwaoka, Hagi, et al., 1994 | He, 40. C @ 5. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
| Capillary | DB-Wax | 2252. | Humpf and Schreier, 1991 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 20. min |
| Capillary | DB-Wax | 2263. | Krammer, Winterhalter, et al., 1991 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C |
| Capillary | CP-Wax 58CB | 2251. | Pabst, Barron, et al., 1991 | 30. m/0.25 mm/0.22 μm, He, 3. K/min; Tstart: 40. C; Tend: 220. C |
| Packed | Carbowax 20M | 2238. | 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 | Stabilwax | 2294. | Klesk and Qian, 2003 | 30. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1330. | Bieri and Marriott, 2008 | 30. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 100. C; Tend: 999. C |
| Capillary | BPX-5 | 1327. | Bieri and Marriott, 2008 | 30. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C |
| Capillary | BPX-5 | 1327. | Bieri and Marriott, 2008 | 30. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C |
| Capillary | BPX-5 | 1329. | Bieri and Marriott, 2008 | 30. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C |
| Capillary | BPX-5 | 1342. | Bieri and Marriott, 2008 | 30. m/0.25 mm/0.25 μm, Hydrogen, 3. K/min; Tstart: 60. C; Tend: 999. C |
| Capillary | BPX-5 | 1331. | Bieri and Marriott, 2008 | 30. m/0.25 mm/0.25 μm, Hydrogen, 5. K/min; Tstart: 60. C; Tend: 999. C |
| Capillary | DB-5 | 1314. | Chieng, Assim, et al., 2008 | 25. m/0.22 mm/0.25 μm, Nitrogen, 50. C @ 2. min, 6.5 K/min, 300. C @ 7. min |
| Capillary | Equity-5 MS | 1309. | Mondello, Casilli, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 1.5 K/min; Tstart: 40. C; Tend: 260. C |
| Capillary | RTX-5 MS | 1306. | Edris, Chizzola, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 2. K/min, 200. C @ 10. min |
| Capillary | HP-1 | 1268. | Fernandez, Lizzani-Cuvelier, et al., 2005 | 50. m/0.2 mm/0.25 μm, 60. C @ 60. min, 2. K/min; Tend: 250. C |
| Capillary | DB-1 | 1280. | Choi, 2004 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | HP-5 | 1300. | Simic, Sokovic, et al., 2004 | 25. m/0.32 mm/0.52 μm, H2, 4. K/min; Tstart: 40. C; Tend: 240. C |
| Capillary | DB-1 | 1280. | Choi, 2003, 2 | 60. m/0.25 mm/0.25 μm, He, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | OV-101 | 1306. | Menon, Chacko, et al., 1999 | N2, 1. K/min, 200. C @ 20. min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 80. C |
| Capillary | DB-1 | 1265. | Stashenko, Torres, et al., 1995 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3.5 K/min; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1312. | Chieng, Assim, et al., 2008 | 25. m/0.22 mm/0.25 μm, Nitrogen; Program: not specified |
| Capillary | SE-30 | 1300. | Vinogradov, 2004 | Program: not specified |
| Capillary | CP Sil 5 CB | 1275. | Guyot, Scheirman, et al., 1999 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C |
| Capillary | DB-1 | 1268. | Baratta, Dorman, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 240C (10min) |
| Capillary | OV-101 | 1300. | Shibamoto, 1987 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 2269. | Soria, Sanz, et al., 2008 | 50. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min |
| Capillary | DB-Wax | 2264. | Njoroge, Koaze, et al., 2005 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 2304. | Choi, 2004 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 2302. | Choi, 2004, 2 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 2289. | Hayata, Sakamoto, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 220. C @ 10. min |
| Capillary | DB-Wax | 2299. | Ito, Sugimoto, et al., 2002 | 60. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C |
| Capillary | DB-Wax | 2289. | Werkhoff, Güntert, et al., 1998 | 60. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | TC-Wax | 2307. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, 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
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Notes
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