Benzenamine, 4-butyl-N-[(4-methoxyphenyl)methylene]-
- Formula: C18H21NO
- Molecular weight: 267.3654
- 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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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
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
477. | 298.15 | Shinoda and Mizuno, 1982 | T = 293 to 333 K. Data given graphically. Cp value is a graphical estimate. |
490. | 300. | Janik, Janik, et al., 1975 | T = 100 to 340 K. Cp value estimated from graphical data. |
475.3 | 298.15 | Shinoda, Maeda, et al., 1974 | T = 2 to 330 K. Nematic liquid crystal. |
Phase change data
Go To: Top, Condensed phase thermochemistry 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 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, 2 | Uncertainty assigned by TRC = 0.1 K; TRC |
Ttriple | 294.0 | K | N/A | Janik, Janik, et al., 1975, 2 | Metastable crystal phase; Uncertainty assigned by TRC = 0.1 K; TRC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
18.033 | 295.3 | Janik, Janik, et al., 1975 | Data also given for metastable modification 294.0 K, H = 14757 J/mol S = 50.21 J/mol*K; DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
61.04 | 295.3 | Janik, Janik, et al., 1975 | 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 (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
13.1486 | 294.45 | crystaline, I | liquid | Shinoda, Maeda, et al., 1974 | liq = Nematic liquid crystal. c,I = metastable crystal form.; DH |
15.9377 | 295.65 | crystaline, III | liquid | Shinoda, Maeda, et al., 1974 | liq = Nematic liquid crystal. c,III = stable crystal form.; DH |
0.2841 | 320.14 | liquid | liquid | Shinoda, Maeda, et al., 1974 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
44.65 | 294.45 | crystaline, I | liquid | Shinoda, Maeda, et al., 1974 | liq; DH |
53.91 | 295.65 | crystaline, III | liquid | Shinoda, Maeda, et al., 1974 | liq; DH |
0.89 | 320.14 | liquid, Nematic | liquid, isotropic | Shinoda, Maeda, et al., 1974 | DH |
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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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 | 135819 |
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.
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]
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. (Paris) Colloq., 1975, (1), 159-165. [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]
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., Colloq., 1975, 1, 159. [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,liquid Constant pressure heat capacity of liquid 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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