N-Phenylglycine
- Formula: C8H9NO2
- Molecular weight: 151.1626
- IUPAC Standard InChI: InChI=1S/C8H9NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
- IUPAC Standard InChIKey: NPKSPKHJBVJUKB-UHFFFAOYSA-N
- CAS Registry Number: 103-01-5
- 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: Anilinoacetic acid; Glycine, N-phenyl-
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -64.22 ± 0.50 | kcal/mol | Ccr | Sabbah and Skoulika, 1980 |
Condensed phase thermochemistry data
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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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -94.82 ± 0.14 | kcal/mol | Ccr | Sabbah and Skoulika, 1980 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -965.01 ± 0.053 | kcal/mol | Ccr | Sabbah and Skoulika, 1980 | ALS |
| ΔcH°solid | -968.3 | kcal/mol | Ccb | Fischer and Wrede, 1904 | Heat of combustion corrected for pressure; ALS |
| ΔcH°solid | -968.74 | kcal/mol | Ccb | Lemoult, 1904 | ALS |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 42.21 | 298.15 | Sabbah and Skoulika, 1980 | T = 298.15 K.; DH |
Phase change data
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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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 30.6 ± 0.5 | kcal/mol | C | Sabbah and Skoulika, 1980 | ALS |
| ΔsubH° | 30.59 ± 0.48 | kcal/mol | N/A | Sabbah and Skoulika, 1980 | AC |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 0.03059 | 298.15 | N/A | Sabbah and Skoulika, 1980 | Sublimation measurements made over 350 to 380 K; data corrected to 298.15 K.; DH |
| 27.27 ± 0.24 | 365.4 | C | Sabbah and Skoulika, 1980 | AC |
Entropy of sublimation
| ΔsubS (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 0.10 | 298.15 | Sabbah and Skoulika, 1980 | Sublimation; DH |
IR Spectrum
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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.
Spectrum
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Additional Data
View scan of original (hardcopy) spectrum.
| 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. |
|---|---|
| Source reference | COBLENTZ NO. 1235 |
| Date | Not specified, most likely prior to 1970 |
| Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
| Data processing | (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE) |
Mass spectrum (electron ionization)
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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
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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-4729 |
| NIST MS number | 229961 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.
Sabbah and Skoulika, 1980
Sabbah, R.; Skoulika, S.,
Thermodynamique de composes azotes. Partie VI. Etude thermochimique de la N-phenylglycine et de la D-α-phenylglycine,
Thermochim. Acta, 1980, 36, 179-187. [all data]
Fischer and Wrede, 1904
Fischer, E.; Wrede, F.,
Uber die Verbrennungswarme einiger organischer Verbindungen,
Sitzungsber. Dtsch. Akad. Wiss. Berlin Kl. Math. Phys. Tech., 1904, 687-715. [all data]
Lemoult, 1904
Lemoult, M.P.,
Remarques sur une serie recenie de determinations calorimetriques,
Compt. Rend., 1904, 663-635. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔsubS Entropy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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