Benzonitrile, 4-[[[4-(hexyloxy)phenyl]methylene]amino]-
- Formula: C20H22N2O
- Molecular weight: 306.4015
- IUPAC Standard InChI: InChI=1S/C20H22N2O/c1-2-3-4-5-14-23-20-12-8-18(9-13-20)16-22-19-10-6-17(15-21)7-11-19/h6-13,16H,2-5,14H2,1H3
- IUPAC Standard InChIKey: YABQOLANVLHEPV-UHFFFAOYSA-N
- CAS Registry Number: 35280-78-5
- 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: 4-(([4-(Hexyloxy)phenyl]methylidene)amino)benzonitrile; p-n-Hexyloxybenzylideneamino-p'-benzonitrile; 4-[[4-(hexyloxy)benzylidene]amino]benzonitrile
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Condensed phase thermochemistry data
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: Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°solid,1 bar | 107.69 | cal/mol*K | N/A | Tsuji, Sorai, et al., 1979 |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 103.37 | 298.15 | Tsuji, Sorai, et al., 1979 | T = 15 to 385 K. |
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 by: Eugene S. Domalski and Elizabeth D. Hearing
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 1.221 | 306.98 | crystaline, II | crystaline, I | Tsuji, Sorai, et al., 1979 | |
| 5.6812 | 334.05 | crystaline, I | liquid | Tsuji, Sorai, et al., 1979 | Solid nematic. |
| 0.4183 | 375.10 | liquid | liquid | Tsuji, Sorai, et al., 1979 |
Entropy of phase transition
| ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 3.99 | 306.98 | crystaline, II | crystaline, I | Tsuji, Sorai, et al., 1979 | |
| 17.0 | 334.05 | crystaline, I | liquid | Tsuji, Sorai, et al., 1979 | Solid |
| 0.76 | 375.10 | liquid, Nematic | liquid, isotropic liquid transition (Note: 1750/375 | Tsuji, Sorai, et al., 1979 |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, 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 | SRD/NIST Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | EPA-IR VAPOR PHASE LIBRARY |
| State | gas |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, 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 | NIST Mass Spectrometry Data Center, 1994 |
| NIST MS number | 135858 |
References
Go To: Top, 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.
Tsuji, Sorai, et al., 1979
Tsuji, K.; Sorai, M.; Suga, H.; Seki, S.,
Heat capacity and thermodynamic properties of p'-substituted p-n-hexyloxybenzylideneaniline. 1. p-n-hexyloxybenzylideneamino-p'-benzonitrile (HBAB),
Mol. Cryst. Liq. Cryst., 1979, 55, 71-87. [all data]
Notes
Go To: Top, 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 S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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