Phenol, 4-propyl-
- Formula: C9H12O
- Molecular weight: 136.1910
- IUPAC Standard InChI: InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
- IUPAC Standard InChIKey: KLSLBUSXWBJMEC-UHFFFAOYSA-N
- CAS Registry Number: 645-56-7
- 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. - Species with the same structure:
- Other names: Phenol, p-propyl-; p-Hydroxypropylbenzene; p-Propylphenol; Dihydrochavicol; 4-Propylphenol; 4-n-Propylphenol; p-n-Propylphenol; 1-Hydroxy-4-n-propylbenzene; NSC 65647
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Phase change data
Go To: Top, 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 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 | 505. ± 4. | K | AVG | N/A | Average of 8 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 295. ± 2. | K | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 56.7 | 398. | A | Stephenson and Malanowski, 1987 | Based on data from 383. to 508. K.; AC |
| 61.3 | 348. | N/A | Stage, Müller, et al., 1953 | Based on data from 347. to 517. K.; AC |
| 59.5 | 373. | N/A | Stage, Müller, et al., 1953 | Based on data from 347. to 517. K.; AC |
| 58.4 | 398. | N/A | Stage, Müller, et al., 1953 | Based on data from 347. to 517. K.; AC |
| 56.2 | 423. | N/A | Stage, Müller, et al., 1953 | Based on data from 347. to 517. K.; AC |
| 51.5 | 473. | N/A | Stage, Müller, et al., 1953 | Based on data from 347. to 517. K.; AC |
IR Spectrum
Go To: Top, Phase change data, 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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| State | gas |
| Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, 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-1571 |
| NIST MS number | 229180 |
References
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Stage, Müller, et al., 1953
Stage, H.; Müller, E.; Faldix, P.,
Erdol u Kohle, 1953, 6, 375. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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