2-Propen-1-ol, 3-phenyl-
- Formula: C9H10O
- Molecular weight: 134.1751
- 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.
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Phase change data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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 (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
68.1 ± 0.1 | 310. | TG,DTA | Sorokina, Dollimore, et al., 2002 | Based on data from 295. to 325. K.; AC |
79.8 | 319. | A | Stephenson and Malanowski, 1987 | Based on data from 310. to 328. K.; AC |
56.2 | 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 (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
345.8 to 523. | 5.02211 | 2440.762 | -36.713 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
15.73 | 308.2 | Chickos, Braton, et al., 1991, 2 | AC |
IR Spectrum
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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: Coblentz Society, Inc.
Condensed Phase Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
View scan of original (hardcopy) spectrum.
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Download spectrum in JCAMP-DX format.
Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | DOW CHEMICAL COMPANY |
Source reference | COBLENTZ NO. 1644 |
Date | Not specified, most likely prior to 1970 |
Name(s) | (2E)-3-phenyl-2-propen-1-ol |
State | SOLUTION (10% CCl4 FOR 5000-1330, 10% CS2 FOR 1330-625 CM-1) |
Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
Path length | 0.0120 CM, 0.0118 CM |
Resolution | 4 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY NIST FROM HARD COPY |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-1701 |
NIST MS number | 227529 |
Gas Chromatography
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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, IR Spectrum, Mass spectrum (electron ionization), 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
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Perkin, 1896
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LXIX. On Magnetic Rotatory Power, especially of Aromatic Compounds,
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Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
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