Benzocaine

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δcsolid-1122.1 ± 0.2kcal/molCcbSullivan and Hunt, 1949 
Δcsolid-1122.8 ± 0.2kcal/molCcbSullivan, Kibler, et al., 1948 

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus360. ± 10.KAVGN/AAverage of 6 values; Individual data points

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
5.88362.6DSCWassvik, Holmén, et al., 2008AC
5.631362.8N/AAcree, 1991AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedSE-30210.1561.Lenchik, Rudenko, et al., 1986N2, Inerton N AW (1), NaCl (2), and steel powder (3); Column length: 1. m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySE-301528.Schepers, Wijsbeek, et al., 198212. m/0.22 mm/0.45 μm, He, 120. C @ 2. min, 8. K/min, 300. C @ 12. min
CapillarySE-301526.Schepers, Wijsbeek, et al., 198225. m/0.49 mm/1.14 μm, 100. C @ 2. min, 8. K/min, 275. C @ 15. min

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
PackedOV-1011560.McLinden and Stenhouse, 1979N2, Chromosorb W; Column length: 2. m; Program: not specified

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCBP-11516.Oyama, Sano, et al., 1987N2, 6. K/min; Column length: 12. m; Column diameter: 0.53 mm; Tstart: 120. C; Tend: 250. C
CapillaryDB-11523.Perrigo, Peel, et al., 198515. m/0.32 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C
CapillaryDB-11523.Perrigo, Ballantyne, et al., 198415. m/0.25 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C
CapillarySE-301513.Anderson and Stafford, 198315. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 100. C; Tend: 295. C
PackedSE-301530.Perrigo and Peel, 1981N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone1545.University Centre for Pharmacy, 200312.5 m/0.32 mm/1.5 μm; Program: 135C(4min) => 13C/min => 200C => 8C/min => 240C => 6C/min => 312C (6min)

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryJXR180.1563.von Buchi, Lorini, et al., 1972 
CapillaryJXR200.1574.von Buchi, Lorini, et al., 1972 

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
PackedSE-301555.MHA, 9999Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1513.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCP Sil 5 CB1555.Bogusz, Wijsbeek, et al., 198325. m/0.32 mm/0.48 μm, Helium; Program: 60 0C (2.5 min) 30 0C/min -> 190 0C 7 0C/min -> 295 9C (7 min)
PackedSE-301535.Bogusz, Wijsbeek, et al., 1983Program: not specified
OtherMethyl Silicone1555.Ardrey and Moffat, 1981Program: not specified

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Sullivan and Hunt, 1949
Sullivan, M.V.; Hunt, H., Heats of combustion. IV. The heats of combustion of five aromatic amines, J. Phys. Chem., 1949, 53, 497-500. [all data]

Sullivan, Kibler, et al., 1948
Sullivan, M.V.; Kibler, G.M.; Hunt, H., Heats of combustion of nitrogen containing compounds, Rpt. Tech. Memo. PUR-3 for USN Project SQUID Contract N6ori-104, Task Order No. 1 Designation No. NR 22 042 by Purdue University, Lafayette, IN, 1948, 1-46. [all data]

Wassvik, Holmén, et al., 2008
Wassvik, Carola M.; Holmén, Anders G.; Draheim, Rieke; Artursson, Per; Bergström, Christel A.S., Molecular Characteristics for Solid-State Limited Solubility, J. Med. Chem., 2008, 51, 10, 3035-3039, https://doi.org/10.1021/jm701587d . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Lenchik, Rudenko, et al., 1986
Lenchik, N.V.; Rudenko, B.A.; Dzhabarov, D.N., Gas chromatographic analysis of nitrogen-containing pharmaceticals using a thermoaerosol detector and non-porous sorbents, Zh. Anal. Khim., 1986, 1438-1443. [all data]

Schepers, Wijsbeek, et al., 1982
Schepers, P.; Wijsbeek, J.; Franke, J.P.; de Zeeuw, R.A., Applicability of capillary gas chromatography to substance identification in toxicology by means of retention indices, J. Forensic Sci., 1982, 27, 1, 49-60. [all data]

McLinden and Stenhouse, 1979
McLinden, V.J.; Stenhouse, A.M., A chromatography system for drug identification, Forensic Sci. Int., 1979, 13, 71-79, https://doi.org/10.1016/0379-0738(79)90265-2 . [all data]

Oyama, Sano, et al., 1987
Oyama, N.; Sano, T.; Syoyama, M.; Maeda, K., Studies on systematic analysis of poisonous compounds in forensic chemistry. II. Application of capillary column gas chromatography to substance identification by means of retention indices, Eisei Kagaku, 1987, 33, 5, 342-348, https://doi.org/10.1248/jhs1956.33.342 . [all data]

Perrigo, Peel, et al., 1985
Perrigo, B.J.; Peel, H.W.; Ballantyne, D.J., Use of Dual-Column Fused-Silica Capillary Gas Chromatography in Combination with Detector Response Factors for Analytical Toxicology., J. Chromatogr., 1985, 341, 81-88, https://doi.org/10.1016/S0378-4347(00)84011-6 . [all data]

Perrigo, Ballantyne, et al., 1984
Perrigo, B.J.; Ballantyne, D.J.; Peel, H.W., Condierations in developing a data base for drugs on a DBI capillary column, J. Can. Soc. Forensic Sci., 1984, 17, 2, 41-49, https://doi.org/10.1080/00085030.1984.10757360 . [all data]

Anderson and Stafford, 1983
Anderson, W.H.; Stafford, D.T., Applications of capillary gas chromatography in routine toxicological analyses, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 5, 247-254, https://doi.org/10.1002/jhrc.1240060506 . [all data]

Perrigo and Peel, 1981
Perrigo, B.J.; Peel, H.W., The use of retention indices and temperature-programmed gas chromatography in analytical toxicology, J. Chromatogr. Sci., 1981, 19, 5, 219-226, https://doi.org/10.1093/chromsci/19.5.219 . [all data]

University Centre for Pharmacy, 2003
University Centre for Pharmacy, University of Groninger, Systematic toxicological analysis, 2003, retrieved from http://www.farm.rug.nl/InterACT/wijopnet.html. [all data]

von Buchi, Lorini, et al., 1972
von Buchi, J.; Lorini, V.; Perlia, X., Gaschromatographische Untersuchung einiger homologer Reihen von Lokalanaesthetica, Pharm. Acta Helv., 1972, 47, 65, 377-393. [all data]

MHA, 9999
MHA, Directorate of ForensicScience., Forensic Toxicology, 9999. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Bogusz, Wijsbeek, et al., 1983
Bogusz, M.; Wijsbeek, J.; Franke, J.P.; de Zeeuw, R.A., Applicability of capillary gas chromatography to systematic toxicological analysis: occurence of concentration-dependent retention behavior, J. Analyt. Toxicol., 1983, 7, 4, 188-192, https://doi.org/10.1093/jat/7.4.188 . [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, References