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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -351.62 ± 0.28 | kJ/mol | Ccb | Mosselman and Dekker, 1975 | ALS |
ΔfH°liquid | -352.6 ± 0.7 | kJ/mol | Ccb | Hayes, 1971 | DRB |
ΔfH°liquid | -352.57 ± 0.72 | kJ/mol | Ccb | Gundry, Harrop, et al., 1969 | ALS |
ΔfH°liquid | -357.9 ± 0.50 | kJ/mol | Ccb | Chao and Rossini, 1965 | see Rossini, 1934; ALS |
ΔfH°liquid | -358.4 ± 1.7 | kJ/mol | Ccb | Green, 1960 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3330.91 ± 0.28 | kJ/mol | Ccb | Mosselman and Dekker, 1975 | Corresponding ΔfHºliquid = -351.62 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3329.9 ± 0.67 | kJ/mol | Ccb | Hayes, 1971 | Corresponding ΔfHºliquid = -352.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3329.96 ± 0.64 | kJ/mol | Ccb | Gundry, Harrop, et al., 1969 | Corresponding ΔfHºliquid = -352.57 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3324.6 ± 0.4 | kJ/mol | Ccb | Chao and Rossini, 1965 | see Rossini, 1934; Corresponding ΔfHºliquid = -357.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3324. | kJ/mol | Ccb | Verkade and Coops, 1927 | Corrected for 298 and 1 atm.; Corresponding ΔfHºliquid = -358. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 258.9 | J/mol*K | N/A | Counsell, Lees, et al., 1968 | DH |
S°liquid | 254.8 | J/mol*K | N/A | Parks, Huffman, et al., 1933 | Extrapolation below 90 K, 57.66 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
207.45 | 298.15 | Benson and D'Arcy, 1986 | DH |
207.45 | 298.15 | Benson and D'Arcy, 1986, 2 | DH |
208.19 | 298.15 | Tanaka, Toyama, et al., 1986 | DH |
208.98 | 298.15 | Zegers and Somsen, 1984 | DH |
207.4 | 298.15 | D'Aprano, DeLisi, et al., 1983 | Data given at 288 and 298 K.; DH |
205.6 | 293.15 | Arutyunyan, Bagdasaryan, et al., 1981 | T = 293 to 393 K. p = 0.1 MPa. Unsmoothed experimental datum given as 2.332 kJ/kg*K. Cp given from 293.15 to 533.15 K for pressure range 10 to 60 MPa.; DH |
212.3 | 301.26 | Griigo'ev, Yanin, et al., 1979 | T = 301 to 463 K. p = 0.98 bar.; DH |
208.40 | 298.15 | Skold, Suurkuusk, et al., 1976 | DH |
240.6 | 313.2 | Paz Andrade, Paz, et al., 1970 | DH |
208.3 | 298.15 | Counsell, Lees, et al., 1968 | T = 10 to 390 K.; DH |
201.7 | 302.4 | Phillip, 1939 | DH |
209.12 | 298.0 | Parks, Huffman, et al., 1933 | T = 94 to 298 K. Value is unsmoothed experimental datum.; DH |
183.3 | 298. | von Reis, 1881 | T = 298 to 400 K.; DH |
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
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, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 194.2 | K | N/A | Parks, Huffman, et al., 1933, 2 | 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 | 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 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
53.70 | 195.56 | Counsell, Lees, et al., 1968 | DH |
50.61 | 194.2 | Parks, Huffman, et al., 1933 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering 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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
C5H11O- + =
By formula: C5H11O- + H+ = C5H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1565. ± 8.8 | kJ/mol | G+TS | Higgins and Bartmess, 1998 | gas phase; B |
ΔrH° | 1568. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
ΔrH° | 1564. ± 12. | kJ/mol | G+TS | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1538. ± 8.4 | kJ/mol | IMRE | Higgins and Bartmess, 1998 | gas phase; B |
ΔrG° | 1541. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
ΔrG° | 1537. ± 11. | kJ/mol | CIDC | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale; B |
By formula: C3H9Si+ + C5H12O = (C3H9Si+ • C5H12O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 187. | kJ/mol | PHPMS | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 131. | J/mol*K | N/A | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
126. | 468. | PHPMS | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M |
(C5H13O+ • 4) + = (C5H13O+ • 5)
By formula: (C5H13O+ • 4C5H12O) + C5H12O = (C5H13O+ • 5C5H12O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21. | 227. | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated; M |
(C5H13O+ • ) + = (C5H13O+ • 2)
By formula: (C5H13O+ • C5H12O) + C5H12O = (C5H13O+ • 2C5H12O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 130. | J/mol*K | N/A | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
43.9 | 346. | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated; M |
(C5H13O+ • 2) + = (C5H13O+ • 3)
By formula: (C5H13O+ • 2C5H12O) + C5H12O = (C5H13O+ • 3C5H12O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.6 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 102. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
(C5H13O+ • 3) + = (C5H13O+ • 4)
By formula: (C5H13O+ • 3C5H12O) + C5H12O = (C5H13O+ • 4C5H12O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.8 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 102. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
By formula: C5H12O = C5H10O + H2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.2 ± 1.6 | kJ/mol | Eqk | Connett, 1970 | liquid phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering 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
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman
View reactions leading to C5H12O+ (ion structure unspecified)
Proton affinity at 298K
Proton affinity (kJ/mol) | Reference | Comment |
---|---|---|
795. | Holmes, Aubry, et al., 1999 | MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.00 | PE | Ashmore and Burgess, 1977 | LLK |
10.38 | PE | Ashmore and Burgess, 1977 | Vertical value; LLK |
10.42 ± 0.03 | PE | Peel and Willett, 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C5H10+ | 10.04 ± 0.05 | H2O | EI | Harnish, Holmes, et al., 1990 | LL |
De-protonation reactions
C5H11O- + =
By formula: C5H11O- + H+ = C5H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1565. ± 8.8 | kJ/mol | G+TS | Higgins and Bartmess, 1998 | gas phase; B |
ΔrH° | 1568. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
ΔrH° | 1564. ± 12. | kJ/mol | G+TS | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1538. ± 8.4 | kJ/mol | IMRE | Higgins and Bartmess, 1998 | gas phase; B |
ΔrG° | 1541. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
ΔrG° | 1537. ± 11. | kJ/mol | CIDC | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction 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 by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: C3H9Si+ + C5H12O = (C3H9Si+ • C5H12O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 187. | kJ/mol | PHPMS | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 131. | J/mol*K | N/A | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
126. | 468. | PHPMS | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated |
(C5H13O+ • ) + = (C5H13O+ • 2)
By formula: (C5H13O+ • C5H12O) + C5H12O = (C5H13O+ • 2C5H12O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 130. | J/mol*K | N/A | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
43.9 | 346. | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated |
(C5H13O+ • 2) + = (C5H13O+ • 3)
By formula: (C5H13O+ • 2C5H12O) + C5H12O = (C5H13O+ • 3C5H12O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 58.6 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 102. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase |
(C5H13O+ • 3) + = (C5H13O+ • 4)
By formula: (C5H13O+ • 3C5H12O) + C5H12O = (C5H13O+ • 4C5H12O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.8 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 102. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase |
(C5H13O+ • 4) + = (C5H13O+ • 5)
By formula: (C5H13O+ • 4C5H12O) + C5H12O = (C5H13O+ • 5C5H12O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46. | kJ/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | N/A | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21. | 227. | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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]
Mosselman and Dekker, 1975
Mosselman, C.; Dekker, H.,
Enthalpies of formation of n-alkan-1-ols,
J. Chem. Soc. Faraday Trans. 1, 1975, 417-424. [all data]
Hayes, 1971
Hayes, C.W.,
Bomb calorimetric studies on normal alkan-1-ols, steroregular polymethylmethacrylates, α-olefinic polymers, trioxane and oxygenated polymers,
Diss. Abs., 1971, 31, 5903-5904. [all data]
Gundry, Harrop, et al., 1969
Gundry, H.A.; Harrop, D.; Head, A.J.; Lewis, G.B.,
Thermodynamic properties of organic oxygen compounds. 21. Enthalpies of combustion of benzoic acid, pentan-1-ol, octan-1-ol, and hexadecan-1-ol,
J. Chem. Thermodyn., 1969, 1, 321-332. [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]
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,
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Notes
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- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions 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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