Ethyl ether
- Formula: C4H10O
- Molecular weight: 74.1216
- IUPAC Standard InChIKey: RTZKZFJDLAIYFH-UHFFFAOYSA-N
- CAS Registry Number: 60-29-7
- 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: Ethane, 1,1'-oxybis-; Anaesthetic ether; Anesthesia ether; Anesthetic ether; Diethyl ether; Diethyl oxide; Ethoxyethane; Pronarcol; Solvent ether; 1,1'-Oxybisethane; (C2H5)2O; Aether; Diaethylaether; Dwuetylowy eter; Etere etilico; Ether ethylique; Ether, ethyl; Ethyl ether, tech.; Ethyl oxide; Oxyde d'ethyle; Rcra waste number U117; UN 1155; 3-Oxapentane; Ether; Ethyl ether anhydrous A.C.S.; Sulfuric ether; NSC 100036
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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:
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 | -252.7 ± 2.0 | kJ/mol | Ccb | Pihlaja and Heikkil, 1968 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -250.3 ± 1.8 kJ/mol; ALS |
ΔfH°gas | -252.2 ± 0.79 | kJ/mol | Cm | Pilcher, Skinner, et al., 1963 | ALS |
ΔfH°gas | -244. | kJ/mol | Ccb | Murrin and Goldhagen, 1957 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -2726.3 ± 1.8 | kJ/mol | Ccb | Pihlaja and Heikkil, 1968 | Corresponding ΔfHºgas = -276.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -2751.1 ± 0.75 | kJ/mol | Cm | Pilcher, Skinner, et al., 1963 | Corresponding ΔfHºgas = -252.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 342.2 | J/mol*K | N/A | Counsell J.F., 1971 | Other third-law entropy values at 298.15 K are 342.46 [ Cope C.S., 1959], 342.33 [ Stull D.R., 1969], and 342.60 J/mol*K [ Chao J., 1986].; GT |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
62.50 | 100. | Chao J., 1986 | p=1 bar.; GT |
84.80 | 150. | ||
99.70 | 200. | ||
114.30 | 273.15 | ||
119.46 ± 0.15 | 298.15 | ||
119.86 | 300. | ||
142.81 | 400. | ||
165.77 | 500. | ||
186.35 | 600. | ||
204.35 | 700. | ||
220.04 | 800. | ||
233.74 | 900. | ||
245.68 | 1000. | ||
256.08 | 1100. | ||
265.12 | 1200. | ||
272.97 | 1300. | ||
279.81 | 1400. | ||
285.76 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
121.94 | 309.98 | Counsell J.F., 1971 | Other experimental values of heat capacity [ Jennings W.H., 1934, Jatkar S.K.K., 1939, Valentin F.H.H., 1950] are believed to be less reliable (see [ Chao J., 1986]).; GT |
126.57 | 329.99 | ||
131.32 | 350.00 | ||
137.21 | 375.00 | ||
143.27 | 400.01 | ||
149.10 | 424.99 | ||
155.11 | 450.04 |
Condensed 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:
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 | -271.2 ± 1.9 | kJ/mol | Ccb | Murrin and Goldhagen, 1957 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2732.1 ± 1.9 | kJ/mol | Ccb | Murrin and Goldhagen, 1957 | Corresponding ΔfHºliquid = -271.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 253.5 | J/mol*K | N/A | Counsell, Lee, et al., 1971 | DH |
S°liquid | 252.7 | J/mol*K | N/A | Parks, Kelley, et al., 1929 | Extrapolation below 90 K, 58.6 J/mol*K. Revision of previous data.; DH |
S°liquid | 283.3 | J/mol*K | N/A | Parks and Huffman, 1926 | Extrapolation below 90 K, 88.70 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
172.5 | 298.15 | Counsell, Lee, et al., 1971 | T = 15 to 300 K.; DH |
171.88 | 293.15 | Mazur, 1939 | T = -112 to 20°C.; DH |
172.0 | 293. | Mazur, 1939, 2 | T = -110 to 20°C.; DH |
167.4 | 290. | Kurnakov and Voskresenskaya, 1936 | DH |
164.8 | 255.2 | Aoyama and Kanda, 1935 | T = 80 to 255 K. Value is unsmoothed experimental datum.; DH |
179.9 | 308. | Bennewitz and Wendroth, 1927 | T = 308 to 488 K. Value is unsmoothed experimental datum. Pressure 40 atmospheres.; DH |
170.7 | 290.0 | Parks and Huffman, 1926 | T = 76 to 290 K. Value is unsmoothed experimental datum.; DH |
179.1 | 286.6 | Keyes and Beattie, 1924 | T = 274, 286 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
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 307.7 ± 0.4 | K | AVG | N/A | Average of 20 out of 21 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 154. ± 7. | K | AVG | N/A | Average of 13 out of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 156.92 | K | N/A | Wilhoit, Chao, et al., 1985 | Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 149.86 | K | N/A | Counsell, Lee, et al., 1971, 2 | Crystal phase 2 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 156.92 | K | N/A | Counsell, Lee, et al., 1971, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 156.8 | K | N/A | Parks and Huffman, 1926, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 467. ± 2. | K | AVG | N/A | Average of 29 out of 30 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 36. ± 1. | bar | AVG | N/A | Average of 16 out of 17 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.274 | l/mol | N/A | Kobe, Ravicz, et al., 1956 | Uncertainty assigned by TRC = 0.005 l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.5 ± 0.4 | mol/l | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 27.1 ± 0.5 | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
26.52 | 307.6 | N/A | Majer and Svoboda, 1985 | |
27.530 | 285.0 | N/A | Keyes and Beattie, 1924 | P = 101.325 kPa; DH |
28.1 | 301. | A | Stephenson and Malanowski, 1987 | Based on data from 286. to 329. K.; AC |
26.9 | 322. | A | Stephenson and Malanowski, 1987 | Based on data from 307. to 457. K.; AC |
27.5 | 320. | A | Stephenson and Malanowski, 1987 | Based on data from 305. to 360. K.; AC |
26.7 | 432. | A | Stephenson and Malanowski, 1987 | Based on data from 417. to 467. K.; AC |
29.5 | 265. | A | Stephenson and Malanowski, 1987 | Based on data from 250. to 329. K. See also Ambrose, Sprake, et al., 1972 and Ambrose, Ellender, et al., 1976.; AC |
27.247 ± 0.005 | 295.63 | V | Counsell, Lee, et al., 1971, 3 | ALS |
28.4 | 278. | N/A | Taylor and Smith, 1922 | Based on data from 213. to 293. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
281. to 313. | 43.01 | 0.2786 | 466.7 | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
96.60 | 285.0 | Keyes and Beattie, 1924 | P; DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
250.04 to 328.57 | 4.0220 | 1062.64 | -44.93 | Ambrose, Sprake, et al., 1972 | Coefficents calculated by NIST from author's data. |
350.14 to 466.73 | 4.46988 | 1354.913 | -5.537 | Ambrose, Sprake, et al., 1972 | Coefficents calculated by NIST from author's data. |
212.4 to 293.02 | 4.13377 | 1102.878 | -40.46 | Taylor and Smith, 1922 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.19 | 156.9 | Counsell, Lee, et al., 1971, 3 | AC |
7.301 | 156.8 | Parks and Huffman, 1926 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
46.6 | 156.8 | Parks and Huffman, 1926 | DH |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
6.820 | 149.86 | crystaline, II | liquid | Counsell, Lee, et al., 1971 | DH |
7.190 | 156.92 | crystaline, I | liquid | Counsell, Lee, et al., 1971 | Metastable crystal.; DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
45.5 | 149.86 | crystaline, II | liquid | Counsell, Lee, et al., 1971 | DH |
45.82 | 156.92 | crystaline, I | liquid | Counsell, Lee, et al., 1971 | Metastable; DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar
B - John E. Bartmess
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: C4H11O+ + C4H10O = (C4H11O+ • C4H10O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 131. | kJ/mol | PHPMS | Szulejko and McMahon, 1991 | gas phase; M |
ΔrH° | 127. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 160. | J/mol*K | PHPMS | Szulejko and McMahon, 1991 | gas phase; M |
ΔrS° | 129. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 88.3 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C5H11O+ + C4H10O = (C5H11O+ • C4H10O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 123. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 123. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 86.6 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C6H15O+ + C4H10O = (C6H15O+ • C4H10O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 123. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 126. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 85.4 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C6H15O+ + C4H10O = (C6H15O+ • C4H10O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 109. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 129. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 70.3 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C3H9Si+ + C4H10O = (C3H9Si+ • C4H10O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 185. | 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° | 125. | 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 |
---|---|---|---|---|
127. | 468. | PHPMS | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M |
By formula: C6H14N+ + C4H10O = (C6H14N+ • C4H10O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92.0 | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
ΔrH° | 91.6 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 133. | J/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
ΔrS° | 133. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
By formula: CH6N+ + C4H10O = (CH6N+ • C4H10O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92.0 | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
ΔrH° | 92.0 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
ΔrS° | 105. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
By formula: C4H8O + H2 = C4H10O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -110.9 ± 0.59 | kJ/mol | Chyd | Allinger, Glaser, et al., 1981 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -110.8 ± 0.3 | kJ/mol | Chyd | Dolliver, Gresham, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -112. ± 3. kJ/mol; At 355°K; ALS |
By formula: Na+ + C4H10O = (Na+ • C4H10O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 130. ± 1. | kJ/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 118. | J/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
89.1 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: C5H6N+ + C4H10O = (C5H6N+ • C4H10O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 94.1 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 138. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
By formula: NO- + C4H10O = (NO- • C4H10O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 173. | kJ/mol | ICR | Reents and Freiser, 1981 | gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M |
By formula: C4H6O + 2H2 = C4H10O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -237.4 ± 0.42 | kJ/mol | Chyd | Dolliver, Gresham, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -239.5 ± 0.4 kJ/mol; At 355°K; ALS |
+ = C4H10ClO-
By formula: Cl- + C4H10O = C4H10ClO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.7 ± 1.7 | kJ/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 14. ± 4.2 | kJ/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
By formula: (Na+ • 2C4H10O) + C4H10O = (Na+ • 3C4H10O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69. ± 1. | kJ/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 123. | J/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
By formula: (Na+ • C4H10O) + C4H10O = (Na+ • 2C4H10O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 96. ± 1. | kJ/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 117. | J/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
By formula: K+ + C4H10O = (K+ • C4H10O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 93.3 | kJ/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: Mg+ + C4H10O = (Mg+ • C4H10O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 280. ± 20. | kJ/mol | ICR | Operti, Tews, et al., 1988 | gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M |
By formula: 2C2H6O = C4H10O + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -24.0 ± 0.1 | kJ/mol | Eqk | Connett, 1972 | gas phase; ALS |
Henry's Law data
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, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
1.2 | M | N/A | ||
0.77 | Q | N/A | Several references are given in the list of Henry's law constants but not assigned to specific species. | |
0.78 | 5300. | X | N/A | |
0.79 | M | N/A | ||
1.1 | V | N/A | ||
1.1 | V | N/A |
Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.51 ± 0.03 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 828.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 801. | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.52 ± 0.07 | EI | Bowen and Maccoll, 1984 | LBLHLM |
9.60 ± 0.01 | PI | Botter, Pechine, et al., 1977 | LLK |
9.41 | PE | Behan, Dean, et al., 1976 | LLK |
9.50 ± 0.01 | PE | Cocksey, Eland, et al., 1971 | LLK |
9.51 | PE | Dewar and Worley, 1969 | RDSH |
9.53 ± 0.02 | PI | Watanabe, 1957 | RDSH |
9.61 | PE | Ohno, Imai, et al., 1985 | Vertical value; LBLHLM |
9.66 | PE | Aue and Bowers, 1979 | Vertical value; LLK |
9.59 | PE | Benoit and Harrison, 1977 | Vertical value; LLK |
9.701 | PE | Aue, Webb, et al., 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3O+ | 12.28 ± 0.05 | C2H4+CH3 | EI | Selim and Helal, 1981 | LLK |
CH3O+ | 11.92 | ? | EI | Holmes, Rye, et al., 1979 | LLK |
CH3O+ | 12.1 | ? | EI | Harrison, Ivko, et al., 1966 | RDSH |
C2H5+ | 12.0 ± 0.1 | ? | EI | Williams and Hamill, 1968 | RDSH |
C2H5O+ | 11.85 | C2H5 | EI | Lossing, 1977 | LLK |
C2H5O+ | 11.83 | C2H5 | EI | Phillips, Russell, et al., 1975 | LLK |
C2H5O+ | 11.8 | C2H5 | EI | Harrison, Ivko, et al., 1966 | RDSH |
C3H5+ | 11.6 | ? | EI | Tsang and Harrison, 1970 | RDSH |
C3H7O+ | 10.26 ± 0.08 | CH3 | EI | Bowen and Maccoll, 1984 | LBLHLM |
C3H7O+ | 10.26 | CH3 | EI | Lossing, 1977 | LLK |
C3H7O+ | 10.3 | CH3 | EI | Harrison, Ivko, et al., 1966 | RDSH |
Ion clustering 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar
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: CH6N+ + C4H10O = (CH6N+ • C4H10O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92.0 | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
ΔrH° | 92.0 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
ΔrS° | 105. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
By formula: C3H9Si+ + C4H10O = (C3H9Si+ • C4H10O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 185. | 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° | 125. | 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 |
---|---|---|---|---|
127. | 468. | PHPMS | Wojtyniak and Stone, 1986 | gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M |
By formula: C4H11O+ + C4H10O = (C4H11O+ • C4H10O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 131. | kJ/mol | PHPMS | Szulejko and McMahon, 1991 | gas phase; M |
ΔrH° | 127. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 160. | J/mol*K | PHPMS | Szulejko and McMahon, 1991 | gas phase; M |
ΔrS° | 129. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 88.3 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C5H6N+ + C4H10O = (C5H6N+ • C4H10O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 94.1 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 138. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
By formula: C5H11O+ + C4H10O = (C5H11O+ • C4H10O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 123. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 123. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 86.6 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C6H14N+ + C4H10O = (C6H14N+ • C4H10O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 92.0 | kJ/mol | PHPMS | Meot-Ner, 1984 | gas phase; M |
ΔrH° | 91.6 | kJ/mol | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 133. | J/mol*K | PHPMS | Meot-Ner, 1984 | gas phase; M |
ΔrS° | 133. | J/mol*K | PHPMS | Meot-Ner (Mautner), 1983 | gas phase; M |
By formula: C6H15O+ + C4H10O = (C6H15O+ • C4H10O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 123. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 126. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 85.4 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C6H15O+ + C4H10O = (C6H15O+ • C4H10O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 109. | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 129. | J/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 70.3 | kJ/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
+ = C4H10ClO-
By formula: Cl- + C4H10O = C4H10ClO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 37.7 ± 1.7 | kJ/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 14. ± 4.2 | kJ/mol | TDAs | Bogdanov, Lee, et al., 2001 | gas phase; B |
By formula: K+ + C4H10O = (K+ • C4H10O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 93.3 | kJ/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: Mg+ + C4H10O = (Mg+ • C4H10O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 280. ± 20. | kJ/mol | ICR | Operti, Tews, et al., 1988 | gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M |
By formula: NO- + C4H10O = (NO- • C4H10O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 173. | kJ/mol | ICR | Reents and Freiser, 1981 | gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M |
By formula: Na+ + C4H10O = (Na+ • C4H10O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 130. ± 1. | kJ/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 118. | J/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
89.1 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: (Na+ • C4H10O) + C4H10O = (Na+ • 2C4H10O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 96. ± 1. | kJ/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 117. | J/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
By formula: (Na+ • 2C4H10O) + C4H10O = (Na+ • 3C4H10O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69. ± 1. | kJ/mol | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 123. | J/mol*K | HPMS | Guo, Conklin, et al., 1989 | gas phase; M |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- GAS (50 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-620, 10% IN CCl4 FOR 620-250 CM-1) VERSUS SOLVENT; PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 4000-1330 CM-1, 10% IN CS2 FOR 1330-600 CM-1); BECKMAN IR-7 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, NIST Free Links, 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- 71 |
NIST MS number | 229016 |
Gas Chromatography
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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: 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 | OV-1 | 130. | 495. | Gurevich and Roshchina, 2003 | He or N2, Gas-Chrom Q |
Packed | SE-30 | 100. | 496. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Packed | Squalane | 50. | 478. | Becerra, Sánchez, et al., 1982 | N2, Chromosorb W-AM; Column length: 6. m |
Packed | Porapack Q | 200. | 486. | Goebel, 1982 | N2 |
Packed | Apiezon L | 120. | 473. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 160. | 471. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 70. | 476. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | Apolane | 70. | 482.6 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
Packed | Apiezon M | 130. | 476. | Golovnya and Garbuzov, 1974 | N2, Chromosorb W; Column length: 2.1 m |
Packed | Squalane | 50. | 474. | Vernon, 1971 | N2 |
Packed | Silicon High Vacuum Grease (obsolete) | 90. | 480. | Jonas, Janák, et al., 1966 | H2 |
Packed | Apiezon L | 130. | 484. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Packed | Apiezon L | 70. | 476. | 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 | 75. | 630. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Packed | PEG-2000 | 120. | 577. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 150. | 570. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 152. | 577. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 179. | 570. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 180. | 567. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 200. | 567. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-20 | 576. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 596. | Chen, Kuo, et al., 1982 | He, 50. C @ 10. min, 1. K/min; Tend: 160. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-1 | 60. | 500. | Shimadzu, 2003, 2 | 60. m/0.32 mm/1. μm, He |
Packed | Synachrom | 150. | 493. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Synachrom | 150. | 494. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Squalane | 100. | 464. | Vernon, 1971 | N2 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 510. | 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 | OV-101 | 485. | Zenkevich, Eliseenkov, et al., 2011 | 25. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 220. C |
Capillary | DB-5 | 485. | Savel'eva, Zenkevich, et al., 2003 | 25. m/0.20 mm/0.33 μm, Helium, 40. C @ 1. min, 5. K/min, 270. C @ 15. min |
Capillary | DB-1 | 504. | 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 | 509. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5 | 508. | Rotsatschakul, Visesanguan, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min) |
Capillary | HP-5 | 504. | Garcia-Estaban, Ansorena, et al., 2004 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) |
Capillary | DB-5 | 504. | Garcia-Estaban, Ansorena, et al., 2004, 2 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) |
Capillary | Methyl Silicone | 484. | N/A | Program: not specified |
Capillary | SPB-1 | 499. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | Polydimethyl siloxanes | 485. | Zenkevich, 1997 | Program: not specified |
Capillary | Polydimethyl siloxanes | 485. | Zenkevich, Chupalov, et al., 1996 | Program: not specified |
Capillary | SPB-1 | 499. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Capillary | SPB-1 | 515. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | DB-1 | 470. | Kawai, Ishida, et al., 1991 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 477. | Kawai, Ishida, et al., 1991 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 100. | 608. | Sun, Siepmann, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium |
Capillary | Carbowax 20M | 120. | 606. | Sun, Siepmann, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium |
Capillary | Carbowax 20M | 60. | 618. | Sun, Siepmann, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium |
Capillary | Carbowax 20M | 80. | 619. | Sun, Siepmann, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 640. | Labropoulos, Palmer, et al., 1982 | Helium, 10. K/min; Column length: 31. m; Column diameter: 0.50 mm; Tstart: 40. C; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 590. | Vinogradov, 2004 | Program: not specified |
Capillary | DB-Wax | 616. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pihlaja and Heikkil, 1968
Pihlaja, K.; Heikkil, J.,
Heats of combustion. Diethyl ether and 1,1-diethoxyethane,
Acta Chem. Scand., 1968, 22, 2731-2732. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
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J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
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 IE (evaluated) Recommended ionization energy 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 d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°gas Enthalpy of combustion of gas at standard conditions 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 ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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