Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

1-Propanol, 2-methyl-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-67.8 ± 0.2kcal/molEqkConnett, 1975Heat of dehydrogenation; ALS
Deltafgas-67.61kcal/molN/AChao and Rossini, 1965Value computed using «DELTA»fHliquid° value of -333.6±0.6 kj/mol from Chao and Rossini, 1965 and «DELTA»vapH° value of 50.7 kj/mol from Skinner and Snelson, 1960.; DRB
Deltafgas-67.9 ± 0.35kcal/molCcbSkinner and Snelson, 1960ALS
Quantity Value Units Method Reference Comment
gas83.65cal/mol*KN/ACounsell J.F., 1968GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
31.965379.99Stromsoe E., 1970Ideal gas heat capacities are given by [ Stromsoe E., 1970] as a linear function Cp=f1*(a+bT). This expression approximates the experimental values with the average deviation of 0.71 J/mol*K. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Please also see Counsell J.F., 1970.; GT
32.108381.23
33.48 ± 0.17390.55
33.88 ± 0.17397.65
33.353400.03
34.40 ± 0.17406.95
34.95 ± 0.17416.95
35.35 ± 0.17424.05
34.978425.01
36.34 ± 0.17441.85
36.561450.06
36.86 ± 0.17451.25
38.15 ± 0.17474.35
37.988475.09
38.34 ± 0.17477.75
39.67 ± 0.17501.55
41.02 ± 0.17525.85
42.16 ± 0.17546.35
44.20 ± 0.17582.95
45.29 ± 0.17602.55

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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:
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
Deltafliquid-80.0 ± 0.2kcal/molEqkConnett, 1975Heat of dehydrogenation; ALS
Deltafliquid-79.73 ± 0.15kcal/molCcbChao and Rossini, 1965see Rossini, 1934; ALS
Deltafliquid-80.00 ± 0.20kcal/molCcbSkinner and Snelson, 1960ALS
Quantity Value Units Method Reference Comment
Deltacliquid-638.06 ± 0.14kcal/molCcbChao and Rossini, 1965see Rossini, 1934; Corresponding «DELTA»fliquid = -79.72 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-637.79 ± 0.20kcal/molCcbSkinner and Snelson, 1960Corresponding «DELTA»fliquid = -79.99 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-637.139kcal/molCcbRichards and Davis, 1920At 291 K; Corresponding «DELTA»fliquid = -80.641 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid51.27cal/mol*KN/ACounsell, Lees, et al., 1968DH
Quantity Value Units Method Reference Comment
solid,1 bar33.63cal/mol*KN/ACounsell, Lees, et al., 1968glass phase; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
43.272298.15Okano, Ogawa, et al., 1988DH
43.501298.15Piekarski and Somsen, 1988DH
44.36303.15Rybalkin, Emel'yanov, et al., 1978T = 293.15 to 353.15 K. Cp given as 2504 J/kg*K.; DH
44.31301.2Paz Andrade, Paz, et al., 1970T = 28, 40°C.; DH
43.26298.15Counsell, Lees, et al., 1968T = 10 to 350 K.; DH
48.11323.Swietoslawski and Zielenkiewicz, 1960Mean value 21 to 78°C.; DH
51.41333.Swietoslawski and Zielenkiewicz, 1958Mean value 21 to 99°C.; DH
44.00298.1Zhdanov, 1941T = 5 to 46°C.; DH
44.69303.Willams and Daniels, 1924T = 303 to 343 K. Equation only.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
30.88180.Counsell, Lees, et al., 1968glass phase; T = 10 to 180 K.; DH

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C4H9O- + Hydrogen cation = 1-Propanol, 2-methyl-

By formula: C4H9O- + H+ = C4H10O

Quantity Value Units Method Reference Comment
Deltar374.5 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar374.7 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar367.9 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Deltar368.1 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

Hydrogen + Propanal, 2-methyl- = 1-Propanol, 2-methyl-

By formula: H2 + C4H8O = C4H10O

Quantity Value Units Method Reference Comment
Deltar-20.88 ± 0.08kcal/molCmWiberg, Crocker, et al., 1991liquid phase; ALS
Deltar-16.3 ± 0.2kcal/molEqkConnett, 1975gas phase; Heat of dehydrogenation; ALS

Sodium ion (1+) + 1-Propanol, 2-methyl- = (Sodium ion (1+) bullet 1-Propanol, 2-methyl-)

By formula: Na+ + C4H10O = (Na+ bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar25.1 ± 1.4kcal/molCIDTRodgers and Armentrout, 2000RCD
Deltar25.1 ± 1.4kcal/molCIDTRodgers and Armentrout, 1999RCD

1-Propanol, 2-methyl- = Hydrogen + Propanal, 2-methyl-

By formula: C4H10O = H2 + C4H8O

Quantity Value Units Method Reference Comment
Deltar16.3 ± 0.2kcal/molEqkConnett, 1975gas phase; Heat of dehydrogenation; ALS

1-Propene, 2-methyl- + 1-Propanol, 2-methyl- = Propane, 1-(1,1-dimethylethoxy)-2-methyl-

By formula: C4H8 + C4H10O = C8H18O

Quantity Value Units Method Reference Comment
Deltar-8.68 ± 0.43kcal/molEqkSharonov, Mishentseva, et al., 1991liquid phase; ALS

Ketene + 1-Propanol, 2-methyl- = Isobutyl acetate

By formula: C2H2O + C4H10O = C6H12O2

Quantity Value Units Method Reference Comment
Deltar-34.37kcal/molCmRice and Greenberg, 1934liquid phase; ALS

Lithium ion (1+) + 1-Propanol, 2-methyl- = (Lithium ion (1+) bullet 1-Propanol, 2-methyl-)

By formula: Li+ + C4H10O = (Li+ bullet C4H10O)

Quantity Value Units Method Reference Comment
Deltar40.4 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

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

Connett, 1975
Connett, J.E., Chemical equilibria 6. Measurement of equilibrium constants for the dehydrogenation of 2-methylpropan-1-ol by a vapour-flow technique, J. Chem. Thermodyn., 1975, 7, 1159-1162. [all data]

Chao and Rossini, 1965
Chao, J.; Rossini, F.D., Heats of combustion, formation, and isomerization of nineteen alkanols, J. Chem. Eng. Data, 1965, 10, 374-379. [all data]

Skinner and Snelson, 1960
Skinner, H.A.; Snelson, A., The heats of combustion of the four isomeric butyl alcohols, Trans. Faraday Soc., 1960, 56, 1776-1783. [all data]

Counsell J.F., 1968
Counsell J.F., Thermodynamic properties of organic oxygen compounds. Part XIX. Low-temperature heat capacity and entropy of propan-1-ol, 2-methylpropan-1-ol, and pentan-1-ol, J. Chem. Soc. A, 1968, 1819-1823. [all data]

Stromsoe E., 1970
Stromsoe E., Heat capacity of alcohol vapors at atmospheric pressure, J. Chem. Eng. Data, 1970, 15, 286-290. [all data]

Counsell J.F., 1970
Counsell J.F., Thermodynamic properties of organic oxygen compounds. 24. Vapor heat capacities and enthalpies of vaporization of ethanol, 2-methyl-1-propanol, and 1-pentanol, J. Chem. Thermodyn., 1970, 2, 367-372. [all data]

Rossini, 1934
Rossini, F.D., Heats of combustion and of formation of the normal aliphatic alcohols in the gaseous and liquid states, and the energies of their atomic linkages, J. Res. NBS, 1934, 13, 189-197. [all data]

Richards and Davis, 1920
Richards, T.W.; Davis, H.S., The heats of combustion of benzene, toluene, aliphatic alcohols, cyclohexanol, and other carbon compounds, J. Am. Chem. Soc., 1920, 42, 1599-1617. [all data]

Counsell, Lees, et al., 1968
Counsell, J.F.; Lees, E.B.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part XIX. Low temperature heat capacity and entropy of propan-1-ol, 2-methyl-propan-1-ol, and pentan-1-ol, 1968, J. [all data]

Okano, Ogawa, et al., 1988
Okano, T.; Ogawa, H.; Murakami, S., Molar excess volumes, isentropic compressions, and isobaric heat capacities of methanol-isomeric butanol systems at 298.15 K, Can. J. Chem., 1988, 66, 713-717. [all data]

Piekarski and Somsen, 1988
Piekarski, H.; Somsen, G., Heat capacities and volumes of mixtures of N,N-dimethylformamide with isobutanol, sec-butanol and t-pentanol, J. Chem. Soc., Faraday Trans. 1, 1988, 84(2), 529-537. [all data]

Rybalkin, Emel'yanov, et al., 1978
Rybalkin, V.I.; Emel'yanov, V.M.; Stupak, P.M.; Litovchenko, N.P.; Z'ola, M.I., Study of the heat capacity of initial compounds and reaction products in the production of metal dialkyldithiophosphates, B.S.R. Inst. Neftepererab. Neftekhim. Prom. (Kiev), 1978, (16), 48-50. [all data]

Paz Andrade, Paz, et al., 1970
Paz Andrade, M.I.; Paz, J.M.; Recacho, E., Contribucion a la microcalorimetria de los calores especificos de solidos y liquidos, An. Quim., 1970, 66, 961-967. [all data]

Swietoslawski and Zielenkiewicz, 1960
Swietoslawski, W.; Zielenkiewicz, A., Mean specific heat in homologous series of binary and ternary positive azeotropes, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1960, 8, 651-653. [all data]

Swietoslawski and Zielenkiewicz, 1958
Swietoslawski, W.; Zielenkiewicz, A., Mean specific heats of binary positive azeotropes, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1958, 6, 367-369. [all data]

Zhdanov, 1941
Zhdanov, A.K., Specific heats of some liquids and azeotropic mixtures, Zhur. Obshch. Khim., 1941, 11, 471-482. [all data]

Willams and Daniels, 1924
Willams, J.W.; Daniels, F., The specific heats of certain organic liquids at elevated temperatures, J. Am. Chem. Soc., 1924, 46, 903-917. [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Wiberg, Crocker, et al., 1991
Wiberg, K.B.; Crocker, L.S.; Morgan, K.M., Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups, J. Am. Chem. Soc., 1991, 113, 3447-3450. [all data]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

Rodgers and Armentrout, 1999
Rodgers, M.T.; Armentrout, P.B., Absolute Binding Energies of Sodium Ions to Short-Chain Alcohols, CnH2n+2O, n=1-4, Determined by Threshold Collision-Induced Dissociation Experiments and Ab Initio Theory, 1999, 4955. [all data]

Sharonov, Mishentseva, et al., 1991
Sharonov, K.G.; Mishentseva, Y.B.; Rozhnov, A.M.; Miroshnichenko, E.A.; Korchatova, L.I., Molar enthalpies of formation and vaporizqation of t-butoxybutanes and thermodynamics of their synthesis from a butanol and 2-methylpropene I. Equilibria of synthesis reactions of t-butoxybutanes in the liquid phase, J. Chem. Thermodyn., 1991, 23, 141-145. [all data]

Rice and Greenberg, 1934
Rice, F.O.; Greenberg, J., Ketene. III. Heat of formation and heat of reaction with alcohols, J. Am. Chem. Soc., 1934, 38, 2268-2270. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References