1-Octanamine

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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 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
Δfliquid-54.51 ± 0.30kcal/molCcrSteele, Chirico, et al., 1996ALS
Quantity Value Units Method Reference Comment
Δcliquid-1346.89 ± 0.23kcal/molCcrSteele, Chirico, et al., 1996ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
73.92298.15Steele, Chirico, et al., 1993DH

Phase change data

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil452. ± 7.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus272.75KN/AZvejnieks, 1954Uncertainty assigned by TRC = 0.2 K; TRC
Tfus273.15KN/AHoffman and Smyth, 1949Uncertainty assigned by TRC = 0.5 K; TRC
Tfus272.15KN/ARalston, Hoerr, et al., 1942Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tc641.KN/ASteele, Chirico, et al., 1996, 2Uncertainty assigned by TRC = 3. K; fitting parameter in Wagner equation for vapor pressure; TRC
Quantity Value Units Method Reference Comment
Pc25.83atmN/ASteele, Chirico, et al., 1996, 2Uncertainty assigned by TRC = 3.95 atm; from extrapolation of obs. vapor pressure to Tc; TRC
Quantity Value Units Method Reference Comment
ρc1.93mol/lN/ASteele, Chirico, et al., 1996, 2Uncertainty assigned by TRC = 0.23 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap13.06 ± 0.23kcal/molVSteele, Chirico, et al., 1996ALS
Δvap13.0kcal/molN/ASteele, Chirico, et al., 1996DRB
Δvap13.1 ± 0.1kcal/molEBSteele, Chirico, et al., 1996Based on data from 343. to 494. K.; AC
Δvap13.0kcal/molCGCChickos, Hosseini, et al., 1995Based on data from 323. to 373. K.; AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
12.1323.AStephenson and Malanowski, 1987Based on data from 308. to 453. K.; AC

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:


Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
Proton affinity (review)222.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity213.9kcal/molN/AHunter and Lias, 1998HL

Proton affinity at 298K

Proton affinity (kcal/mol) Reference Comment
221.1Wang, Chu, et al., 1999KM results obtained from CID of complexes with other primary amines at E(cm) = 0 eV, extrapolated from CID at E(cm) = 0.8, 1.5, 2.0 eV; MM
221.0Wang, Chu, et al., 1999KM results obtained from CID of complexes with other primary amines using Fenselau/Wesdemiotis correction; MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol) Reference Comment
210.2 ± 2.2Gross, Rodriguez-Cruz, et al., 1995T = 300K; 3-Fluoropyridine; i-Propylamine. Reference GBs readjusted to Hunter and Lias, 1998. Cited uncertainty is half of the ΔGB between the bracketing bases; MM

Ionization energy determinations

IE (eV) Method Reference Comment
8.5PEAue and Bowers, 1979LLK

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes

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

Steele, Chirico, et al., 1996
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.; Tasker, I.R., Thermodynamic properties and ideal-gas enthalpies of formation for cyclohexene, phthalan (2,5-dihydrobenzo-3,4-furan), isoxazole, octylamine, dioctylamine, trioctylamine, phenyl isocyanate, and 1,4,5,6-tetrahydropyrimidine, J. Chem. Eng. Data, 1996, 41, 1269-1284. [all data]

Steele, Chirico, et al., 1993
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Tasker, I.R., Determination of ideal gas enthalpies of formation for key compounds the 1991 project results, DIPPR Project, 1993, 871, NIPER-716. [all data]

Zvejnieks, 1954
Zvejnieks, A., Preparation and Properties of Some Pure Fatty and Rosin Amines., Sven. Kem. Tidskr., 1954, 66, 316. [all data]

Hoffman and Smyth, 1949
Hoffman, J.D.; Smyth, C.P., Molecular Freedom and Proton Transfer in Solid Long-Chain Amines., J. Am. Chem. Soc., 1949, 71, 3591. [all data]

Ralston, Hoerr, et al., 1942
Ralston, A.W.; Hoerr, C.W.; Hoffman, E.J., Studies on High Molecular Weight ALiphatic Amines and Their Salts. VII The Systems Octylamine, Dodecylamine, and Octadecylamine-Water, J. Am. Chem. Soc., 1942, 64, 1516. [all data]

Steele, Chirico, et al., 1996, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K.; Tasker, I.R., Thermodynamic Properties and Ideal-Gas Enthalpies of Formation for Dioctylamine, trioctylamine, Phenyl Isocyanate, and 1,4,5,6-Tetrahydropyrimidine, J. Chem. Eng. Data, 1996, 41, 1269-84. [all data]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Wang, Chu, et al., 1999
Wang, Z.; Chu, I.K.; Rodriquez, C.F.; Hopkinson, A.C.; Siu, K.W.M., α,ω-Diaminoalkanes as models for bases that dicoordinate the proton: An evaluation of the kinetic method for estimating their proton affinities, J. Phys. Chem. A., 1999, 103, 8700. [all data]

Gross, Rodriguez-Cruz, et al., 1995
Gross, D.S.; Rodriguez-Cruz, S.E.; Bock, S.; Williams, E.R., Measurement of the Coulomb Energy and Dielectric Polarizability of Gas-Phase Diprotonated Diaminoalkanes, J. Phys. Chem., 1995, 99, 4034. [all data]

Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]


Notes

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