Acetylene
- Formula: C2H2
- Molecular weight: 26.0373
- IUPAC Standard InChIKey: HSFWRNGVRCDJHI-UHFFFAOYSA-N
- CAS Registry Number: 74-86-2
- 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. - Other names: Ethyne; Ethine; Narcylen; C2H2; Acetylen; UN 1001; Vinylene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 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 | 54.190 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1961 |
ΔfH°gas | 54.3 ± 0.2 | kcal/mol | Review | Manion, 2002 | adopted recommendation of Gurvich, Veyts, et al., 1991; DRB |
ΔfH°gas | 54.19 ± 0.19 | kcal/mol | Ccb | Wagman, Kilpatrick, et al., 1945 | Unpublished work of E. J. Prosen; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 48.023 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1961 |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.015 | 100. | Gurvich, Veyts, et al., 1989 | p=1 bar.; GT |
8.501 | 200. | ||
10.53 | 298.15 | ||
10.56 | 300. | ||
12.04 | 400. | ||
13.09 | 500. | ||
13.89 | 600. | ||
14.57 | 700. | ||
15.18 | 800. | ||
15.73 | 900. | ||
16.24 | 1000. | ||
16.71 | 1100. | ||
17.13 | 1200. | ||
17.52 | 1300. | ||
17.87 | 1400. | ||
18.18 | 1500. | ||
18.47 | 1600. | ||
18.73 | 1700. | ||
18.96 | 1800. | ||
19.17 | 1900. | ||
19.36 | 2000. | ||
19.54 | 2100. | ||
19.70 | 2200. | ||
19.84 | 2300. | ||
19.98 | 2400. | ||
20.11 | 2500. | ||
20.22 | 2600. | ||
20.33 | 2700. | ||
20.43 | 2800. | ||
20.53 | 2900. | ||
20.62 | 3000. |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1100. | 1100. to 6000. |
---|---|---|
A | 9.724420 | 16.12630 |
B | 9.735371 | 2.808581 |
C | -3.866731 | -0.483143 |
D | 0.877089 | 0.032551 |
E | -0.157364 | -2.343790 |
F | 50.36011 | 44.32481 |
G | 56.16759 | 60.59601 |
H | 54.19011 | 54.19011 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in March, 1961 | Data last reviewed in March, 1961 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 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
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 189. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Tboil | 189.6 | K | N/A | Maass and Wright, 1921 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 171.65 | K | N/A | Morehouse and Maass, 1931 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 191.4 | K | N/A | Maass and Russell, 1918 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 191.65 | K | N/A | McIntosh, 1907 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 192.4 | K | N/A | Clark and Din, 1950 | Uncertainty assigned by TRC = 0.5 K; TRC |
Ttriple | 191.35 | K | N/A | Maass and Wright, 1921 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 1.2657 | atm | N/A | Clark and Din, 1950 | Uncertainty assigned by TRC = 0.0038 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 308.3 ± 0.1 | K | N/A | Tsonopoulos and Ambrose, 1996 | |
Tc | 308.35 | K | N/A | Goloborod'ko and Khodeeva, 1972 | Visual, as Goloborod'ko and Khodeeva Zh.Fiz.Khim. 1969,43,1340; TRC |
Tc | 308.66 | K | N/A | Khodeeva, 1966 | TRC |
Tc | 309.7 | K | N/A | Maass and Wright, 1921 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 60.58 ± 0.099 | atm | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.1122 | l/mol | N/A | Tsonopoulos and Ambrose, 1996 | |
Vc | 0.113 | l/mol | N/A | Khodeeva, 1966 | Visual, samples thoroughly purified; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 8.91 ± 0.010 | mol/l | N/A | Tsonopoulos and Ambrose, 1996 |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
3.90 | 273. | A | Stephenson and Malanowski, 1987 | Based on data from 258. to 308. K.; AC |
3.99 | 207. | A | Stephenson and Malanowski, 1987 | Based on data from 192. to 308. K.; AC |
3.99 | 210. | A | Stephenson and Malanowski, 1987 | Based on data from 192. to 225. K.; AC |
4.06 | 214. | N/A | Reid, 1972 | AC |
3.92 | 230. | N/A | Ambrose and Townsend, 1964 | Based on data from 215. to 308. K.; AC |
4.02 | 200. | N/A | Ambrose, 1956 | Based on data from 193. to 207. K. See also Boublik, Fried, et al., 1984.; 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 |
---|---|---|---|---|---|
214.64 to 308.33 | 4.65570 | 909.079 | 7.947 | Ambrose and Townsend, 1964, 2 | Coefficents calculated by NIST from author's data. |
192.59 to 206.30 | 4.19027 | 699.53 | -21.47 | Ambrose, 1956, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.62 | 130. | A | Stephenson and Malanowski, 1987 | Based on data from 98. to 145. K.; AC |
5.21 | 162. | N/A | Jones, 1960 | Based on data from 133. to 191. K.; AC |
6.02 | 193. | N/A | Ambrose, 1956 | Based on data from 151. to 193. K.; AC |
5.43 | 160. | A | Stull, 1947 | Based on data from 130. to 189. K.; AC |
5.28 | 129. | A | Burbo, 1943 | Based on data from 89. to 169. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.899 | 192.4 | Miskiewicz, Rieser, et al., 2010 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.25 | 142.7 | Miskiewicz, Rieser, et al., 1976 | CAL |
4.66 | 192.4 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões
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
C2H- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 379. ± 5. | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 370. ± 5. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
By formula: COS+ + C2H2 = (COS+ • C2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.7 | kcal/mol | PD/KERD | Graul S.T. and Bowers, 1991 | gas phase; ΔrH>=; M |
ΔrH° | 34. | kcal/mol | PDiss | Orlando, Friedman, et al., 1990 | gas phase; M |
ΔrH° | 34. | kcal/mol | PDiss | Orlando, Friedman, et al., 1990 | gas phase; M |
ΔrH° | 33.7 ± 5.3 | kcal/mol | PDiss | Orlando, Friedman, et al., 1990 | gas phase; ΔrH<; M |
By formula: Co+ + C2H2 = (Co+ • C2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.0 ± 1.9 | kcal/mol | IRMPD | Surya, Ranatunga, et al., 1997 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.5 (+3.1,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH >=, guided ion beam CID; M |
By formula: Ni+ + C2H2 = (Ni+ • C2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.9 ± 1.9 | kcal/mol | IRMPD | Surya, Ranatunga, et al., 1997 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
1.7 (+4.3,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -74.58 ± 0.15 | kcal/mol | Chyd | Conn, Kistiakowsky, et al., 1939 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -75.06 ± 0.66 kcal/mol; At 355 K; ALS |
By formula: C7H8 = C5H6 + C2H2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.00 ± 0.50 | kcal/mol | Kin | Walsh and Wells, 1975 | gas phase; Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 28.36 ± 0.32 kcal/mol; ALS |
C2Na2 (cr) + 2 (l) = 2( • 1418) (solution) + (g)
By formula: C2Na2 (cr) + 2H2O (l) = 2(HNaO • 1418H2O) (solution) + C2H2 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -38.67 ± 0.36 | kcal/mol | RSC | Johnson, van Deventer, et al., 1973 | Please also see Pedley and Rylance, 1977.; MS |
C2HCs (cr) + (l) = ( • 1031) (solution) + (g)
By formula: C2HCs (cr) + H2O (l) = (HCsO • 1031H2O) (solution) + C2H2 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -12.9 ± 0.2 | kcal/mol | RSC | Ader and Hubbard, 1973 | Please also see Pedley and Rylance, 1977.; MS |
C2HNa (cr) + (l) = ( • 1418) (solution) + (g)
By formula: C2HNa (cr) + H2O (l) = (HNaO • 1418H2O) (solution) + C2H2 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13.0 ± 0.2 | kcal/mol | RSC | Johnson, van Deventer, et al., 1973 | Please also see Pedley and Rylance, 1977.; MS |
By formula: Cu+ + C2H2 = (Cu+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.4 (+2.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: 2C2H2 = C4H4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 55.8 | kcal/mol | Cm | Reppe, Schlichting, et al., 1948 | liquid phase; ALS |
ΔrH° | 49.6 | kcal/mol | Cm | Reppe, Schlichting, et al., 1948 | gas phase; ALS |
By formula: Rh+ + C2H2 = (Rh+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
30.9 | CID | Chen and Armetrout, 1995 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: Cr+ + C2H2 = (Cr+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
44.0 (+4.8,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Ti+ + C2H2 = (Ti+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
60.5 (+4.8,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: La+ + C2H2 = (La+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
62.6 (+7.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Sc+ + C2H2 = (Sc+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
57.4 (+4.8,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: V+ + C2H2 = (V+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
49.0 (+4.8,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Y+ + C2H2 = (Y+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
60.5 (+7.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
+ = C2H2Br-
By formula: Br- + C2H2 = C2H2Br-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.60 | kcal/mol | LPES | Wild, Milley, et al., 2000 | gas phase; Given: 8.635±0.009 kcal/mol(0 K); B |
C2Ag2 (cr) + 2( • 12.3) (solution) = (aq) + 2 (cr)
By formula: C2Ag2 (cr) + 2(HCl • 12.3H2O) (solution) = C2H2 (aq) + 2AgCl (cr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -18.6 ± 0.1 | kcal/mol | RSC | Finch, Gardner, et al., 1991 | MS |
(CAS Reg. No. 25012-81-1 • 4294967295) + = CAS Reg. No. 25012-81-1
By formula: (CAS Reg. No. 25012-81-1 • 4294967295C2H2) + C2H2 = CAS Reg. No. 25012-81-1
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33.02 ± 0.72 | kcal/mol | N/A | Ervin, Gronert, et al., 1990 | gas phase; B |
By formula: Al+ + C2H2 = (Al+ • C2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 ± 2.0 | kcal/mol | CIDC,EqG | Stockigt, Schwarz, et al., 1996 | Anchored to theory; RCD |
By formula: C2H2Cl2 = C2H2 + Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.1 | kcal/mol | Kin | Laursen and Pimentel, 1989 | gas phase; Photolyses; ALS |
By formula: C2H3Cl = C2H2 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.06 ± 0.28 | kcal/mol | Cm | Lacher, Gottlieb, et al., 1962 | gas phase; ALS |
By formula: C5H6 + C2H2 = C7H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.0 ± 0.5 | kcal/mol | Eqk | Walsh and Wells, 1975 | gas phase; ALS |
By formula: C2H2+ + C2H2 = (C2H2+ • C2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.6 | kcal/mol | PI | Ono and Ng, 1982 | gas phase; M |
By formula: Fe+ + C2H2 = (Fe+ • C2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.1 ± 1.9 | kcal/mol | IRMPD | Surya, Ranatunga, et al., 1997 | RCD |
By formula: C2H2I2 = C2H2 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.9 | kcal/mol | Eqk | Furuyama, Golden, et al., 1968 | gas phase; ALS |
C2H2I2 = +
By formula: C2H2I2 = C2H2 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.9 | kcal/mol | Eqk | Furuyama, Golden, et al., 1968 | gas phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
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
LL - Sharon G. Lias and Joel F. Liebman
View reactions leading to C2H2+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 11.400 ± 0.002 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 153.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 147.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
Appearance energy determinations
De-protonation reactions
C2H- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 379. ± 5. | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 370. ± 5. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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 as indicated in comments:
RCD - Robert C. Dunbar
B - John E. Bartmess
M - 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: Al+ + C2H2 = (Al+ • C2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 ± 2.0 | kcal/mol | CIDC,EqG | Stockigt, Schwarz, et al., 1996 | Anchored to theory; RCD |
+ = C2H2Br-
By formula: Br- + C2H2 = C2H2Br-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.60 | kcal/mol | LPES | Wild, Milley, et al., 2000 | gas phase; Given: 8.635±0.009 kcal/mol(0 K); B |
By formula: COS+ + C2H2 = (COS+ • C2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.7 | kcal/mol | PD/KERD | Graul S.T. and Bowers, 1991 | gas phase; ΔrH>=; M |
ΔrH° | 34. | kcal/mol | PDiss | Orlando, Friedman, et al., 1990 | gas phase; M |
ΔrH° | 34. | kcal/mol | PDiss | Orlando, Friedman, et al., 1990 | gas phase; M |
ΔrH° | 33.7 ± 5.3 | kcal/mol | PDiss | Orlando, Friedman, et al., 1990 | gas phase; ΔrH<; M |
By formula: C2H2+ + C2H2 = (C2H2+ • C2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.6 | kcal/mol | PI | Ono and Ng, 1982 | gas phase; M |
By formula: Co+ + C2H2 = (Co+ • C2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.0 ± 1.9 | kcal/mol | IRMPD | Surya, Ranatunga, et al., 1997 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.5 (+3.1,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH >=, guided ion beam CID; M |
By formula: Cr+ + C2H2 = (Cr+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
44.0 (+4.8,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Cu+ + C2H2 = (Cu+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.4 (+2.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: Fe+ + C2H2 = (Fe+ • C2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.1 ± 1.9 | kcal/mol | IRMPD | Surya, Ranatunga, et al., 1997 | RCD |
By formula: La+ + C2H2 = (La+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
62.6 (+7.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Ni+ + C2H2 = (Ni+ • C2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.9 ± 1.9 | kcal/mol | IRMPD | Surya, Ranatunga, et al., 1997 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
1.7 (+4.3,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: Rh+ + C2H2 = (Rh+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
30.9 | CID | Chen and Armetrout, 1995 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: Sc+ + C2H2 = (Sc+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
57.4 (+4.8,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Ti+ + C2H2 = (Ti+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
60.5 (+4.8,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: V+ + C2H2 = (V+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
49.0 (+4.8,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Y+ + C2H2 = (Y+ • C2H2)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
60.5 (+7.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR 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 |
---|---|---|---|---|---|
Packed | Squalane | 27. | 155. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 157. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 156. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 156. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 195. | Hoekman, 1993 | 60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 182. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | OV-101 | 176. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 156. | Chen and Feng, 2007 | Program: not specified |
Capillary | Porapack Q | 182. | Zenkevich and Rodin, 2004 | Program: not specified |
Capillary | Methyl Silicone | 155. | N/A | Program: not specified |
Capillary | SPB-1 | 165. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | SPB-1 | 165. | 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 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR 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
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- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas IE (evaluated) Recommended ionization energy Pc Critical pressure Ptriple Triple point pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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