Benzenamine, 4-butyl-N-[(4-methoxyphenyl)methylene]-
- Formula: C18H21NO
- Molecular weight: 267.3654
- IUPAC Standard InChI: InChI=1S/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3
- IUPAC Standard InChIKey: FEIWNULTQYHCDN-UHFFFAOYSA-N
- CAS Registry Number: 26227-73-6
- 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: N-(p-Methoxybenzylidene)-p-butylaniline; 4-Butyl-N-[(4-methoxyphenyl)methylene]benzenamine; p-Methoxybenzylidene-p-butylaniline; p-Anisylidene-p-butylaniline; Aniline, p-butyl-N-(p-methoxybenzylidene)-; 4-Methoxybenzylidene-4'-n-butylaniline; MBBA; 4-Methoxybenzylidine 4'-butylaniline; 4-Butyl-N-[(4-methoxyphenyl)methylidene]aniline; N-(4-Methoxybenzylidene)-p-n-butylaniline; 4-Butyl-N-(p-methoxybenzylidene)aniline; DL 1047 N; N-(4-Methoxybenzylidene)-4-butylaniline; N-(4'-methoxybenzylidene)-4-butylaniline
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Phase change data
Go To: Top, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Ttriple | 295.3 | K | N/A | Janik, Janik, et al., 1975 | Uncertainty assigned by TRC = 0.1 K; TRC |
| Ttriple | 294.0 | K | N/A | Janik, Janik, et al., 1975 | Metastable crystal phase; Uncertainty assigned by TRC = 0.1 K; TRC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 4.3100 | 295.3 | Janik, Janik, et al., 1975, 2 | Data also given for metastable modification 294.0 K, H = 14757 J/mol S = 50.21 J/mol*K; DH |
Entropy of fusion
| ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 14.59 | 295.3 | Janik, Janik, et al., 1975, 2 | Data; DH |
Temperature of phase transition
| Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|
| 320.137 | liquid, Nematic | liquid, isotropic | Shinoda and Mizuno, 1982 | DH |
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 3.14259 | 294.45 | crystaline, I | liquid | Shinoda, Maeda, et al., 1974 | liq = Nematic liquid crystal. c,I = metastable crystal form.; DH |
| 3.80920 | 295.65 | crystaline, III | liquid | Shinoda, Maeda, et al., 1974 | liq = Nematic liquid crystal. c,III = stable crystal form.; DH |
| 0.06790 | 320.14 | liquid | liquid | Shinoda, Maeda, et al., 1974 | DH |
Entropy of phase transition
| ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 10.67 | 294.45 | crystaline, I | liquid | Shinoda, Maeda, et al., 1974 | liq; DH |
| 12.88 | 295.65 | crystaline, III | liquid | Shinoda, Maeda, et al., 1974 | liq; DH |
| 0.21 | 320.14 | liquid, Nematic | liquid, isotropic | Shinoda, Maeda, et al., 1974 | DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Janik, Janik, et al., 1975
Janik, J.A.; Janik, J.M.; Mayer, J.; Sciesinska, E.; Sciesinski, J.; Twardowski, J.; Waluga, T.; Witko, W.,
Calorimetric and infrared study of the phase situation in solid MBBA [N-(p-methoxybenzylidene)-p-(n-butyl)aniline],
J. Phys., Colloq., 1975, 1, 159. [all data]
Janik, Janik, et al., 1975, 2
Janik, J.A.; Janik, J.M.; Mayer, J.; Sciesinska, E.; Sciesinski, J.; Twardowski, J.; Waluga, T.; Witko, W.,
Calorimetric and infrared study of the phase situation in solid MBBA [N-(p-methoxybenzylidene)-p-(n-butyl)aniline],
J. Phys. (Paris) Colloq., 1975, (1), 159-165. [all data]
Shinoda and Mizuno, 1982
Shinoda, T.; Mizuno, M.,
On the pre-transition phenomenon of n-(p-methoxybenzylidene)-p-n-butylaniline (MBBA),
Tokyo Kogyo Shikensho Hokoku, 1982, 77(4), 215-217. [all data]
Shinoda, Maeda, et al., 1974
Shinoda, T.; Maeda, Y.; Enokido, H.,
Thermodynamic properties of N-(p-methoxybenzylidene)-p-n-butyl-aniline (MBBA) from 2K to its isotropic-liquid phase,
J. Chem. Thermodynam., 1974, 6, 921-934. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Ttriple Triple point temperature Ttrs Temperature of phase transition ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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