1-Pentanol
- Formula: C5H12O
- Molecular weight: 88.1482
- IUPAC Standard InChIKey: AMQJEAYHLZJPGS-UHFFFAOYSA-N
- CAS Registry Number: 71-41-0
- 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: Pentyl alcohol; n-Amyl alcohol; n-Butylcarbinol; n-Pentan-1-ol; n-Pentanol; n-Pentyl alcohol; Amyl alcohol; Amylol; Pentanol; 1-Pentyl alcohol; n-C5H11OH; Pentan-1-ol; Pentanol-1; Pentasol; n-Amylalkohol; Alcool amylique; Amyl alcohol, n-; Amyl alcohol, normal; Primary amyl alcohol; UN 1105; 1-Pentol; Primary-N-amyl alcohol; Butyl carbinol; NSC 5707
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Gas phase thermochemistry data
Go To: Top, Phase change 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -298. ± 6. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 401.3 | J/mol*K | N/A | Counsell J.F., 1968 | GT |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
167.91 | 403.49 | Stromsoe E., 1970 | Ideal 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 1.42 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 |
177.7 ± 1.4 | 418.95 | ||
178.2 ± 1.4 | 420.75 | ||
174.58 | 423.32 | ||
179.7 ± 1.4 | 426.15 | ||
181.7 ± 1.4 | 433.45 | ||
179.33 | 438.26 | ||
184.4 ± 1.4 | 442.85 | ||
184.8 ± 1.4 | 444.35 | ||
184.35 | 453.45 | ||
192.9 ± 1.4 | 472.85 | ||
190.44 | 473.19 | ||
195.5 ± 1.4 | 482.25 | ||
209.3 ± 1.4 | 531.25 | ||
215.8 ± 1.4 | 554.15 | ||
221.4 ± 1.4 | 573.95 |
Phase change data
Go To: Top, Gas 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 411. ± 1. | K | AVG | N/A | Average of 54 out of 66 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 194.35 | K | N/A | Timmermans, 1952 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tfus | 194.65 | K | N/A | Tschamler, Richter, et al., 1949 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 194.65 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 195.56 | K | N/A | Counsell, Lees, et al., 1968 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 194.2 | K | N/A | Parks, Huffman, et al., 1933 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 580. ± 20. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 39.0 ± 0.4 | bar | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.326 | l/mol | N/A | Gude and Teja, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.06 ± 0.02 | mol/l | N/A | Gude and Teja, 1995 | |
ρc | 3.06 | mol/l | N/A | Teja, Lee, et al., 1989 | TRC |
ρc | 3.10 | mol/l | N/A | Smith, Anselme, et al., 1986 | Uncertainty assigned by TRC = 0.20 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 57. ± 2. | kJ/mol | AVG | N/A | Average of 14 values; Individual data points |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
323.2 | 0.017 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
Enthalpy of vaporization
ΔvapH = A exp(-αTr)
(1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | 298. to 421. | 298. to 368. |
---|---|---|
A (kJ/mol) | 67.55 | 61.59 |
α | -0.8195 | -1.2689 |
β | 0.8272 | 1.0462 |
Tc (K) | 588.2 | 551.6 |
Reference | Majer and Svoboda, 1985 | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
437.79 to 513.79 | 3.97383 | 1106.11 | -134.578 | Ambrose, Sprake, et al., 1975 | Coefficents calculated by NIST from author's data. |
347.91 to 429.13 | 4.32418 | 1297.689 | -110.669 | Ambrose and Sprake, 1970 | Coefficents calculated by NIST from author's data. |
307.1 to 411. | 4.68277 | 1492.549 | -91.621 | Kemme and Kreps, 1969 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.502 | 195.56 | Counsell, Lees, et al., 1968, 2 | DH |
10.51 | 195.6 | van Miltenburg and van den Berg, 2004 | AC |
10.5 | 195.6 | Domalski and Hearing, 1996 | AC |
9.828 | 194.2 | Parks, Huffman, et al., 1933, 2 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
53.70 | 195.56 | Counsell, Lees, et al., 1968, 2 | DH |
50.61 | 194.2 | Parks, Huffman, et al., 1933, 2 | DH |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Timmermans, 1952
Timmermans, J.,
Freezing points of organic compounds. VVI New determinations.,
Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]
Tschamler, Richter, et al., 1949
Tschamler, H.; Richter, E.; Wettig, F.,
Mixtures of Primry Aliphatic Alcohols with Chlorex and Other Organic Substances. Binary Liquid Mixtures XII.,
Monatsh. Chem., 1949, 80, 749. [all data]
Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F.,
Freezing points of orgainic substances VI. New experimental determinations.,
Bull. Soc. Chim. Belg., 1921, 30, 213. [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-methylpropan-1-ol, and pentan-1-ol,
J. Chem. Soc., A, 1968, 1819, https://doi.org/10.1039/j19680001819
. [all data]
Parks, Huffman, et al., 1933
Parks, G.S.; Huffman, H.M.; Barmore, M.,
Thermal Data on Organic Compounds. XI. The Heat Capacities, Entropies and Free Energies of Ten Compounds Containing Oxygen or Nitrogen,
J. Am. Chem. Soc., 1933, 55, 7, 2733, https://doi.org/10.1021/ja01334a016
. [all data]
Gude and Teja, 1995
Gude, M.; Teja, A.S.,
Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols,
J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]
Teja, Lee, et al., 1989
Teja, A.S.; Lee, R.J.; Rosenthal, D.J.; Anselme, M.J.,
Correlation of the Critical Properties of Alkanes and Alkanols
in 5th IUPAC Conference on Alkanes and AlkanolsGradisca, 1989. [all data]
Smith, Anselme, et al., 1986
Smith, R.L.; Anselme, M.J.; Teja, A.S.,
The Critical Temperatures of Isomeric Pentanols and Heptanols,
Fluid Phase Equilib., 1986, 31, 161. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Wormald and James, 2000
Wormald, Christopher J.; James, Gareth F.,
Specific Enthalpy Increments for Pentan-1-ol at Temperatures up to 623.2 K and 10.1 MPa,
J. Chem. Eng. Data, 2000, 45, 2, 348-352, https://doi.org/10.1021/je990275y
. [all data]
Aucejo, Burguet, et al., 1994
Aucejo, Antonio; Burguet, M.C.; Monton, Juan B.; Munoz, Rosa; Sanchotello, Margarita; Vazquez, M. Isabel,
Isothermal Vapor-Liquid Equilibria of 1-Pentanol with 2-Methyl-1-butanol, 2-Methyl-2-butanol, and 3-Methyl-2-butanol,
J. Chem. Eng. Data, 1994, 39, 3, 578-580, https://doi.org/10.1021/je00015a040
. [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]
Ambrose, Sprake, et al., 1972
Ambrose, D.; Sprake, C.H.S.; Townsend, R.,
Thermodynamic properties of organic oxygen compounds XXIX. The vapour pressure of diethyl ether,
The Journal of Chemical Thermodynamics, 1972, 4, 2, 247-254, https://doi.org/10.1016/0021-9614(72)90063-8
. [all data]
Majer, Svoboda, et al., 1985
Majer, V.; Svoboda, V.; Lencka, M.,
Enthalpies of vaporization and cohesive energies of dimethylpyridines and trimethylpyridines,
The Journal of Chemical Thermodynamics, 1985, 17, 4, 365-370, https://doi.org/10.1016/0021-9614(85)90133-8
. [all data]
Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J.,
Physical and thermodynamic properties of aliphatic alcohols,
J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [all data]
Counsell, Fenwick, et al., 1970
Counsell, J.F.; Fenwick, J.O.; Lees, E.B.,
Thermodynamic properties of organic oxygen compounds 24. Vapour heat capacities and enthalpies of vaporization of ethanol, 2-methylpropan-1-ol, and pentan-1-ol,
The Journal of Chemical Thermodynamics, 1970, 2, 3, 367-372, https://doi.org/10.1016/0021-9614(70)90007-8
. [all data]
Kemme and Kreps, 1969
Kemme, Herbert R.; Kreps, Saul I.,
Vapor pressure of primary n-alkyl chlorides and alcohols,
J. Chem. Eng. Data, 1969, 14, 1, 98-102, https://doi.org/10.1021/je60040a011
. [all data]
Ambrose, Sprake, et al., 1975
Ambrose, D.; Sprake, C.H.S.; Townsend, R.,
Thermodynamic Properties of Organic Oxygen Compounds. XXXVII. Vapour Pressures of Methanol, Ethanol, Pentan-1-ol, and Octan-1-ol from the Normal Boiling Temperature to the Critical Temperature,
J. Chem. Thermodyn., 1975, 7, 2, 185-190, https://doi.org/10.1016/0021-9614(75)90267-0
. [all data]
Ambrose and Sprake, 1970
Ambrose, D.; Sprake, C.H.S.,
Thermodynamic properties of organic oxygen compounds XXV. Vapour pressures and normal boiling temperatures of aliphatic alcohols,
The Journal of Chemical Thermodynamics, 1970, 2, 5, 631-645, https://doi.org/10.1016/0021-9614(70)90038-8
. [all data]
Counsell, Lees, et al., 1968, 2
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]
van Miltenburg and van den Berg, 2004
van Miltenburg, J. Cees; van den Berg, Gerrit J.K.,
Heat Capacities and Derived Thermodynamic Functions of 1-Propanol between 10 K and 350 K and of 1-Pentanol between 85 K and 370 K,
J. Chem. Eng. Data, 2004, 49, 3, 735-739, https://doi.org/10.1021/je0499768
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Parks, Huffman, et al., 1933, 2
Parks, G.S.; Huffman, H.M.; Barmore, M.,
Thermal data on organic compounds. XI. The heat capacities,
entropies and free energies of ten compounds containing oxygen or nitrogen. J. Am. Chem. Soc., 1933, 55, 2733-2740. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Pc Critical pressure S°gas Entropy of gas at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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