Cyclopentanol
- Formula: C5H10O
- Molecular weight: 86.1323
- IUPAC Standard InChIKey: XCIXKGXIYUWCLL-UHFFFAOYSA-N
- CAS Registry Number: 96-41-3
- 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: Cyclopentyl alcohol; Hydroxycyclopentane; UN 2244
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Gas phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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 | -243.0 | kJ/mol | N/A | Wiberg, Wasserman, et al., 1985 | Value computed using ΔfHliquid° value of -300.4±1.0 kj/mol from Wiberg, Wasserman, et al., 1985 and ΔvapH° value of 57.4 kj/mol from Sellers and Sunner, 1962.; DRB |
ΔfH°gas | -242.6 ± 1.7 | kJ/mol | Ccb | Sellers and Sunner, 1962 | Reanalyzed by Cox and Pilcher, 1970, Original value = -241.1 kJ/mol; ALS |
ΔfH°gas | -242.9 | kJ/mol | N/A | Parks, Mosley, et al., 1950 | Value computed using ΔfHliquid° value of -300.3±0.2 kj/mol from Parks, Mosley, et al., 1950 and ΔvapH° value of 57.4 kj/mol from Sellers and Sunner, 1962.; DRB |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
105.43 | 298.15 | Kabo G.J., 1995 | Selected thermodynamic functions were calculated so that statistical entropy value at 340 K was put into agreement with the experimental one by adjusting the pseudorotational moment of inertia. Statistically calculated S(T) and Cp(T) values given in [ Thermodynamics Research Center, 1997] are 2-13 and 7-9 J/mol*K, respectively, larger than those of [ Kabo G.J., 1995].; GT |
106.09 | 300. | ||
142.01 | 400. | ||
174.02 | 500. | ||
200.71 | 600. | ||
222.75 | 700. | ||
241.29 | 800. | ||
257.00 | 900. | ||
270.39 | 1000. |
Phase change data
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 413. ± 2. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 254.15 | K | N/A | Timmermans, 1952 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 253. | K | N/A | White and Bishop, 1940 | Crystal phase 1 phase; Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 255.6 | K | N/A | Kabo, Diky, et al., 1995 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.3 K; TRC |
Ttriple | 256.0 | K | N/A | Wuerflinger and Kreutzenbeck, 1978 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC |
Ttriple | 257.4 | K | N/A | Parks, Kennedy, et al., 1956 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; see 1978 wuekre 0 for phase identification; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 620. ± 1. | K | N/A | Gude and Teja, 1995 | |
Tc | 619.5 | K | N/A | Ambrose and Ghiassee, 1987 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 49. ± 1. | bar | N/A | Gude and Teja, 1995 | |
Pc | 49.00 | bar | N/A | Ambrose and Ghiassee, 1987 | Uncertainty assigned by TRC = 1.00 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 57. ± 1. | kJ/mol | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
52.7 | 361. | A,EB | Ambrose and Ghiassee, 1987, 2 | Based on data from 346. to 437. K.; AC |
57.1 | 294. | N/A | Cabani, Conti, et al., 1975 | Based on data from 279. to 314. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.54 | 257.4 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
18.28 | 202.8 | Domalski and Hearing, 1996 | CAL |
5.98 | 257.4 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
3.707 | 202.8 | crystaline, II | crystaline, I | Parks, Kennedy, et al., 1956, 2 | DH |
1.536 | 257.4 | crystaline, I | liquid | Parks, Kennedy, et al., 1956, 2 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
18.28 | 202.8 | crystaline, II | crystaline, I | Parks, Kennedy, et al., 1956, 2 | DH |
5.97 | 257.4 | crystaline, I | liquid | Parks, Kennedy, et al., 1956, 2 | DH |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-1501 |
NIST MS number | 233847 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SE-30 | 100. | 792. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Packed | Apiezon L | 120. | 768. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 160. | 781. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 130. | 768. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | DC-200 | 100. | 782. | Rohrschneider, 1966 | Column length: 4. m |
Packed | Apiezon L | 100. | 767. | Rohrschneider, 1966 | Column length: 5. m |
Packed | Apiezon L | 130. | 768. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Packed | Apiezon L | 190. | 773. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 100. | 1298. | Rohrschneider, 1966 | Column length: 2. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1283. | Nishimura, Yamaguchi, et al., 1989 | 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 765. | Boulanger, Chassagne, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
Capillary | DB-5 | 781. | Boulanger, Chassagne, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
Capillary | DB-5 | 765. | Boulanger, Chassagne, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
Capillary | DB-5 | 781. | Boulanger, Chassagne, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
Capillary | Methyl Silicone | 774. | Peng, Yang, et al., 1991 | Program: not specified |
Packed | SE-30 | 774. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1300. | Fernandez-Segovia, Escriche, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 10. K/min, 230. C @ 25. min |
Capillary | Supelcowax-10 | 1314. | Chung, Yung, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | Supelcowax-10 | 1314. | Chung, Yung, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | DB-Wax | 1309. | Beauchene, Grua-Priol, et al., 2000 | 60. m/0.32 mm/0.5 μm, He, 3. K/min, 160. C @ 5. min; Tstart: 30. C |
Capillary | DB-Wax | 1323. | Iwaoka, Hagi, et al., 1994 | He, 40. C @ 5. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | DB-Wax | 1278. | Fröhlich, Duque, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C |
Capillary | DB-Wax | 1281. | Fröhlich, Duque, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Apieson L | 120. | 795. | Kurdina, Markovich, et al., 1969 | not specified, not specified |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 802. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 805. | Vinogradov, 2004 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 792. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | ZB-Wax | 1328. | Wierda R.L., Fletcher G., et al., 2006 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 2. min, 3. K/min, 250. C @ 10. min |
Capillary | DB-Wax | 1300. | Fu, Yoon, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 8. K/min, 250. C @ 5. min |
Capillary | TC-Wax | 1290. | Fukami, Ishiyama, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 1303. | Umano, Nakahara, et al., 1999 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Capillary | Carbowax 20M | 1283. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C |
Capillary | Carbowax 20M | 1289. | Mihara, Tateba, et al., 1988 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 1292. | Mihara, Tateba, et al., 1988 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 1289. | Mihara, Tateba, et al., 1987 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 1292. | Mihara, Tateba, et al., 1987 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1323. | Sampaio, Garruti, et al., 2011 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 35 0C (9 min) 5 0C/min -> 80 0C 1 0C/min -> 100 0C 16 0C/min -> 210 0C (20 min) |
Capillary | DB-Wax | 1339. | Yongsheng, Hua, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min) |
Capillary | HP-Innowax | 1280. | Quijano and Pino, 2006 | 60. m/0.25 mm/0.25 μm, Nitrogen; Program: 50 0C (4 min) -> 40 0C 4 0C/min -> 220 0C |
Capillary | Carbowax 20M | 1283. | Vinogradov, 2004 | Program: not specified |
Capillary | DB-Wax | 1327. | Piveteau, le Guen, et al., 2000 | 60. m/0.32 mm/0.5 μm, He; Program: 50C(6min) => 1C/min => 130C => 10C/min => 240C (15min) |
Capillary | DB-Wax | 1297. | Peng, Yang, et al., 1991, 2 | Program: not specified |
Capillary | DB-Wax | 1327. | Peng, Yang, et al., 1991, 2 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg, Wasserman, et al., 1985
Wiberg, K.B.; Wasserman, D.J.; Martin, E.J.; Murcko, M.A.,
Enthalpies of hydration of alkenes. 3. Cycloalkenes,
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Sellers and Sunner, 1962
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Heats of combustion of cyclic ketones and alcohols,
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Cox and Pilcher, 1970
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Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Parks, Mosley, et al., 1950
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Heats of combustion and formation of some organic compounds containing oxygen,
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Kabo G.J., 1995
Kabo G.J.,
Thermodynamic properties, conformation, and phase transitions of cyclopentanol,
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Thermodynamics Research Center, 1997
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Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Timmermans, 1952
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Vapour pressures and critical temperatures and critical pressures of C5 and C6 cyclic alcohols and ketones,
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Eine methode zur charakterisierung von gaschromatographischen trennflüssigkeiten,
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Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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