Naphthalene, 1,2,3,4-tetrahydro-
- Formula: C10H12
- Molecular weight: 132.2023
- IUPAC Standard InChIKey: CXWXQJXEFPUFDZ-UHFFFAOYSA-N
- CAS Registry Number: 119-64-2
- 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. - Isotopologues:
- Other names: Tetralin; Benzocyclohexane; Tetrahydronaphthalene; Tetraline; Tetranap; 1,2,3,4-Tetrahydronaphthalene; Naphthalene-1,2,3,4-tetrahydride; δ(5,7,9)-Naphthantriene; Bacticin; Tetralina; NSC 77451; tetralene
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Gas 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:
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 | 7.17 | kcal/mol | N/A | Good and Lee, 1976 | Value computed using ΔfHliquid° value of -28.6±1.0 kj/mol from Good and Lee, 1976 and ΔvapH° value of 58.6 kj/mol from Boyd, Sanwal, et al., 1971.; DRB |
ΔfH°gas | 6.22 ± 0.47 | kcal/mol | Ccb | Boyd, Sanwal, et al., 1971 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 5.29 ± 0.81 kcal/mol; ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.443 | 50. | Dorofeeva O.V., 1988 | Recommended values were calculated statistically mechanically using force field approximation for polycyclic aromatic hydrocarbons to estimate the needed vibrational frequencies (see also [ Dorofeeva O.V., 1986]). These functions are reproduced in the reference book [ Frenkel M., 1994]. Values of S(298.15 K)=368.6 and Cp(298.15 K)=146.6 J/mol*K were calculated using molecular constants estimated by molecular mechanics [ Boyd R.H., 1971]. Discrepancies with semiempirical calculation [ Szekely, 1955] amount to 14 and 6 J/mol*K for S and Cp at 298.15 K. Cp(298.15 K) calculated by semiempirical calculation [ Vvedenskii A.A., 1957] agrees well with value recommended here.; GT |
13.23 | 100. | ||
17.98 | 150. | ||
23.49 | 200. | ||
32.737 | 273.15 | ||
36.08 ± 0.48 | 298.15 | ||
36.324 | 300. | ||
49.391 | 400. | ||
60.782 | 500. | ||
70.179 | 600. | ||
77.894 | 700. | ||
84.288 | 800. | ||
89.646 | 900. | ||
94.168 | 1000. | ||
98.009 | 1100. | ||
101.28 | 1200. | ||
104.09 | 1300. | ||
106.50 | 1400. | ||
108.58 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, UV/Visible 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 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 |
---|---|---|---|---|---|
ΔfH°liquid | -6.83 ± 0.25 | kcal/mol | Ccb | Good and Lee, 1976 | ALS |
ΔfH°liquid | -7.79 ± 0.52 | kcal/mol | Ccb | Boyd, Sanwal, et al., 1971 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -7.91 ± 0.51 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1343.58 ± 0.21 | kcal/mol | Ccb | Good and Lee, 1976 | Corresponding ΔfHºliquid = -6.82 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1342.61 ± 0.51 | kcal/mol | Ccb | Boyd, Sanwal, et al., 1971 | Corresponding ΔfHºliquid = -7.79 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1338.1 | kcal/mol | Ccb | Karo, McLaughlin, et al., 1953 | Corrected from net heat of combustion; Corresponding ΔfHºliquid = -12.3 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1334.1 | kcal/mol | Ccb | Hock and Knauel, 1951 | Corresponding ΔfHºliquid = -16.3 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 60.100 | cal/mol*K | N/A | McCullough, Finke, et al., 1957 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
51.969 | 298.15 | McCullough, Finke, et al., 1957 | T = 10 to 320 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:
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 480. ± 1. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 237.3 ± 0.9 | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 237.3400 | K | N/A | McCullough, Finke, et al., 1957, 2 | Uncertainty assigned by TRC = 0.07 K; TRC |
Ttriple | 237.3500 | K | N/A | McCullough, Finke, et al., 1957, 2 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 720. ± 1. | K | N/A | Tsonopoulos and Ambrose, 1995 | |
Tc | 721.7 | K | N/A | Gude and Teja, 1994 | Uncertainty assigned by TRC = 0.5 K; by the flow method; TRC |
Tc | 719.9 | K | N/A | Teja and Anselme, 1990 | Uncertainty assigned by TRC = 1. K; TRC |
Tc | 721. | K | N/A | Steele, Chirico, et al., 1988 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 36.0 ± 1. | atm | N/A | Tsonopoulos and Ambrose, 1995 | |
Pc | 35.83 | atm | N/A | Gude and Teja, 1994 | Uncertainty assigned by TRC = 0.25 atm; by the flow method; TRC |
Pc | 37.01 | atm | N/A | Steele, Chirico, et al., 1988 | Uncertainty assigned by TRC = 0.79 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.408 | l/mol | N/A | Tsonopoulos and Ambrose, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.5 ± 0.1 | mol/l | N/A | Tsonopoulos and Ambrose, 1995 | |
ρc | 2.45 | mol/l | N/A | Teja and Anselme, 1990 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
ρc | 2.27 | mol/l | N/A | Steele, Chirico, et al., 1988 | Uncertainty assigned by TRC = 0.11 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 13.2 ± 0.3 | kcal/mol | V | Boyd, Sanwal, et al., 1971 | ALS |
ΔvapH° | 14.0 | kcal/mol | N/A | Boyd, Sanwal, et al., 1971 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
10.5 | 480. | N/A | Lee, Dempsey, et al., 1992 | Based on data from 465. to 580. K.; AC |
12.2 | 326. | A | Stephenson and Malanowski, 1987 | Based on data from 311. to 481. K.; AC |
9.87 ± 0.02 | 498. | C | Natarajan and Viswanath, 1985 | AC |
8.99 ± 0.02 | 552. | C | Natarajan and Viswanath, 1985 | AC |
8.53 ± 0.02 | 567. | C | Natarajan and Viswanath, 1985 | AC |
8.10 ± 0.02 | 585. | C | Natarajan and Viswanath, 1985 | AC |
7.65 ± 0.02 | 604. | C | Natarajan and Viswanath, 1985 | AC |
12.5 | 346. | N/A | Katayama and Harada, 1984 | Based on data from 331. to 437. K.; AC |
11.6 | 382. | N/A | Stull, 1947 | Based on data from 367. to 479. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
367.0 to 479.4 | 4.12100 | 1690.912 | -70.229 | Herz and Schuftan, 1922 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.9749 | 237.36 | McCullough, Finke, et al., 1957 | DH |
2.976 | 237.4 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.53 | 237.36 | McCullough, Finke, et al., 1957 | DH |
Reaction 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 by: 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
By formula: 2H2 + C10H8 = C10H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -29.8 | kcal/mol | Eqk | Frye and Weitkamp, 1969 | gas phase |
ΔrH° | -28.8 ± 1.2 | kcal/mol | Eqk | Wilson, Caflisch, et al., 1958 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -32.0 ± 1.2 kcal/mol; At 400 K |
By formula: H2 + C10H10 = C10H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -24.10 ± 0.20 | kcal/mol | Chyd | Williams, 1942 | liquid phase; solvent: Acetic acid; At 302 K |
By formula: H2 + C10H10 = C10H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -27.1 ± 0.1 | kcal/mol | Chyd | Williams, 1942 | liquid phase; solvent: Acetic acid; At 302 K |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, UV/Visible 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C10H12+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 8.46 ± 0.02 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 193.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 186.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
191.4 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Gas basicity at 298K
Gas basicity (review) (kcal/mol) | Reference | Comment |
---|---|---|
185.0 | Aue, Guidoni, et al., 2000 | Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.44 | EI | Dass and Gross, 1985 | LBLHLM |
8.48 ± 0.05 | EQ | Mautner(Meot-Ner), 1980 | LLK |
8.47 | CTS | Pitt, 1970 | RDSH |
8.73 | EI | Loudon, Maccoll, et al., 1970 | RDSH |
9.14 ± 0.05 | EI | Meier, Heiss, et al., 1968 | RDSH |
8.45 ± 0.02 | PE | Maier and Turner, 1973 | Vertical value; LLK |
8.44 | PE | Brogli, Giovannini, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C8H8+ | 11.31 | ? | EI | Loudon, Maccoll, et al., 1970 | RDSH |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- LIQUID (NEAT); PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-650, AND 10% CCl4 FOR 650-240 CM-1) VERSUS SOLVENT; Not specified, most likely a grating or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- VAPOR (15 MICROLITER AT 150 C); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2-3 CM-1 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
UV/Visible spectrum
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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 by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
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Source | missing citation |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 8974 |
Instrument | Unicam SP 500, Hilger Ultrascan |
Melting point | -35.7 |
Boiling point | 207.6 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, 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 |
---|---|---|---|---|---|
Capillary | HP-1 | 100. | 1143. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 100. | 1143. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | OV-1 | 160. | 1168.5 | Meusinger and Engewald, 1991 | Column length: 20. m; Column diameter: 0.3 mm |
Capillary | OV-1 | 100. | 1142.8 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm |
Capillary | OV-1 | 120. | 1154. | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm |
Capillary | OV-101 | 145. | 1180. | Grinberg, Tokarev, et al., 1984 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 145. | 1179. | Grinberg, Tokarev, et al., 1984 | He; Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 150. | 1170. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Capillary | OV-101 | 100. | 1142. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | OV-101 | 100. | 1142. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | OV-101 | 110. | 1147. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | OV-101 | 90. | 1136. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | SE-30 | 70. | 1129.8 | Tóth, 1983 | N2; Column length: 15. m; Column diameter: 0.25 mm |
Capillary | SE-30 | 130. | 1164. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 150. | 1178. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 1137. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | Squalane | 86. | 1133.2 | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 96. | 1137.6 | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 140. | 1168.7 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 160. | 1179.8 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Squalane | 100. | 1140. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 110. | 1142. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 120. | 1150. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 130. | 1155. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 90. | 1133. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 92. | 1137. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 86. | 1133.2 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 96. | 1137.6 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Packed | SE-30 | 120. | 1165. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Packed | SE-30 | 130. | 1168. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Packed | SE-30 | 140. | 1173. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Capillary | Squalane | 100. | 1140. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 50. m; Column diameter: 0.2 mm |
Capillary | SE-30 | 65. | 1125.6 | Svob and Deur-Siftar, 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Capillary | Squalane | 120. | 1150. | Schomburg, 1966 |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 1136. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 1163.35 | Haagen-Smit Laboratory, 1997 | He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-20M | 70. | 1490.4 | Tóth, 1983 | N2; Column length: 30. m; Column diameter: 0.3 mm |
Packed | Carbowax 20M | 140. | 1476. | Szabó and Jánosi, 1979 | Ar, Chromosorb W; Column length: 1.5 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 1153.9 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | DB-5 | 1151.7 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1158.5 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1162.5 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1179.4 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Capillary | OV-1 | 1142.9 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | DB-5 | 1151.7 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1158.5 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1162.5 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | Petrocol DH | 1140.47 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 1140.85 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 1141. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | DB-5 | 1163. | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Capillary | Ultra-1 | 1130.46 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-1 | 1138.09 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-1 | 1142.95 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 1157.79 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 1166.27 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 1171.51 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | OV-101 | 1136. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1169. | 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 | Supelcowax-10 | 1523. | Cadwallader, Tan, et al., 1995 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min |
Capillary | DB-Wax | 1517. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Squalane | 100. | 1133. | Berezkin, 1993 | |
Capillary | Squalane | 100. | 1137. | Berezkin, 1993 | |
Capillary | Squalane | 110. | 1142. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 130. | 1155. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | Polydimethyl siloxane | 110. | 1147. | Ferrand, 1962 | |
Packed | Polydimethyl siloxane | 147. | 1166. | Ferrand, 1962 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 1169. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
Capillary | HP-5 MS | 1155. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
Capillary | Petrocol DH | 1148. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | Petrocol DH | 1152. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | VF-5 MS | 1162. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | VF-5 MS | 1164. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | VF-5 | 1174. | Li and Zhao, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 10. K/min, 300. C @ 10. min |
Capillary | OV-1 | 1136. | Orav, Kailas, et al., 1999 | 2. K/min; Tstart: 50. C; Tend: 160. C |
Capillary | Ultra-1 | 1147. | Elizalde-González, Hutfliess, et al., 1996 | 50. m/0.2 mm/0.33 μm, H2, 3. K/min, 300. C @ 35. min; Tstart: 60. C |
Capillary | Ultra-2 | 1167. | King, Hamilton, et al., 1993 | 50. m/0.32 mm/0.52 μm, He, 40. C @ 3. min, 4. K/min, 250. C @ 30. min |
Capillary | DB-1 | 1137. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1158. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1171. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1179. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Squalane | 1137. | Chen, 2008 | Program: not specified |
Capillary | HP-5 | 1162. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
Capillary | HP-5 | 1163. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | Polymethylsiloxane, (PMS-20000) | 1130. | Cornwell and Cordano, 2003 | Program: not specified |
Capillary | HP Ultra 1 | 1144. | Hernandes, Vargas-Arispuro, et al., 1999 | 25. m/0.20 mm/0.33 μm, Nitrogen; Program: 50 0C 4 0C/min -> 180 0C 10 0C/min -> 280 0C |
Capillary | DB-1 | 1169. | Peng, 1996 | 30. m/0.53 mm/1.5 μm; Program: 40 0C (4 min) 8 0C/min -> 200 0C (1 min) 5 0C/min -> 280 0C (20 min) |
Capillary | OV-1 | 1142.1 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C 2)2nd 30m column isothermal 100C |
Capillary | OV-1 | 1152.9 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C. 2) 2nd 30m column isothermal 120C. |
Capillary | OV-1 | 1149.7 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 6C/min 60-120C. 2) 2nd 30m column isothermal 120C. |
Capillary | OV-1 | 1152.4 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1)1st 30m column temp ramp 3C/min 60-120 2)2nd 30m column isothermal 120C |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1141. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1136. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Apieson L | 1153. | Vaisberg and Gizitdinova, 1969 | Helium; Column length: 50. m; Column diameter: 0.25 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1565. | Shimadzu, 2012 | 30. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-Wax | 1565. | Shimadzu Corporation, 2003 | 30. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1490. | Cornwell and Cordano, 2003 | Program: not specified |
Capillary | DB-Wax | 1525. | Peng, 1996 | 30. m/0.53 mm/1.0 μm; Program: 40 0C (4 min) 4 0C/min -> 200 0C (20 min) |
Capillary | DB-Wax | 1525. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | DB-Wax | 1525. | Peng, Yang, et al., 1991 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5MS | 195.21 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C |
Capillary | DB-5 | 195.47 | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Capillary | SE-52 | 197.04 | Lee, Vassilaros, et al., 1979 | 12. m/0.3 mm/0.34 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy Pc Critical pressure S°liquid Entropy of liquid at standard conditions 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 ΔrH° Enthalpy 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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