Carbon disulfide
- Formula: CS2
- Molecular weight: 76.141
- IUPAC Standard InChIKey: QGJOPFRUJISHPQ-UHFFFAOYSA-N
- CAS Registry Number: 75-15-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Carbon bisulfide; Carbon sulfide (CS2); Dithiocarbonic anhydride; CS2; Carbon sulfide; Carbon-disulphide-; Carbon bisulphide; Carbon sulphide; Kohlendisulfid; Koolstofdisulfide; NCI-C04591; Rcra waste number P022; Schwefelkohlenstoff; Solfuro di carbonio; Sulphocarbonic anhydride; UN 1131; Weeviltox; Wegla dwusiarczek; Alcohol of sulfur; Carbon bisulfuret; Methyl disulfide; Sulfocarbonic anhydride
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 27.949 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1976 |
ΔfH°gas | 27.98 ± 0.19 | kcal/mol | Ccr | Good, Lacina, et al., 1961 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -265.8 | kcal/mol | Ccb | Guerin, Marthe, et al., 1949 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 56.879 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1976 |
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 1000. | 1000. to 6000. |
---|---|---|
A | 8.569291 | 14.63980 |
B | 12.54570 | 0.329547 |
C | -9.760381 | -0.033585 |
D | 2.868440 | 0.002219 |
E | -0.053736 | -0.775345 |
F | 24.73781 | 21.52750 |
G | 63.61370 | 71.56049 |
H | 27.95010 | 27.95010 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1976 | Data last reviewed in December, 1976 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
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 | 21.37 ± 0.17 | kcal/mol | Ccr | Good, Lacina, et al., 1961 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -403.24 ± 0.12 | kcal/mol | Ccr | Good, Lacina, et al., 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -402.09 ± 0.12 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 36.09 | cal/mol*K | N/A | Brown and Manov, 1937 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
18.88 | 298. | Staveley, Tupman, et al., 1955 | T = 286 to 317 K.; DH |
17.90 | 294.81 | Zhdanov, 1945 | T = 7 to 31°C. Value is unsmoothed experimental datum.; DH |
18.6 | 293. | Mazur, 1939 | T = -100 to 20°C.; DH |
18.2 | 301.2 | Phillip, 1939 | DH |
18.17 | 297.43 | Brown and Manov, 1937 | T = 15 to 297 K. Value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
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 | 319.2 ± 0.6 | K | AVG | N/A | Average of 13 out of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 161. ± 3. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 161.11 | K | N/A | Brown and Manov, 1937, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 161.59 | K | N/A | Stull, 1937 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 552. | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 6.6 ± 0.1 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.391 | 319.4 | N/A | Majer and Svoboda, 1985 | |
6.86 | 270. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 255. to 354. K.; AC |
6.48 | 369. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 354. to 552. K.; AC |
6.81 | 275. | A | Stephenson and Malanowski, 1987 | Based on data from 260. to 353. K.; AC |
6.55 | 353. | A | Stephenson and Malanowski, 1987 | Based on data from 338. to 408. K.; AC |
6.45 | 403. | A | Stephenson and Malanowski, 1987 | Based on data from 388. to 497. K.; AC |
6.86 | 505. | A | Stephenson and Malanowski, 1987 | Based on data from 490. to 533. K.; AC |
6.86 | 270. | EB | Boublík and Aim, 1972 | Based on data from 255. to 318. K. See also Stephenson and Malanowski, 1987.; AC |
6.72 | 292. | EB | Waddington, Smith, et al., 1962 | Based on data from 277. to 353. K.; AC |
6.72 ± 0.02 | 282. | C | Waddington, Smith, et al., 1962 | AC |
6.38 ± 0.02 | 319. | C | Waddington, Smith, et al., 1962 | AC |
6.60 | 318. | N/A | Thomson, 1946 | Based on data from 303. to 358. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
282. to 319. | 8.860 | 0.2264 | 552. | Majer and Svoboda, 1985 |
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 |
---|---|---|---|---|---|
276.74 to 353.08 | 4.06112 | 1168.62 | -31.616 | Waddington, Smith, et al., 1962 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.049 | 161.11 | Brown and Manov, 1937 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.511 | 161.11 | Brown and Manov, 1937 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
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
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: Cl- + CS2 = (Cl- • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.80 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
ΔrH° | 11.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 13.9 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
ΔrS° | 20. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.6 ± 2.2 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
ΔrG° | 5.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
By formula: CS2- + CS2 = (CS2- • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.9 ± 1.5 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1994 | gas phase; B,M |
ΔrH° | 4.4 ± 1.1 | kcal/mol | N/A | Tsukuda, Hirose, et al., 1997 | gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B |
ΔrH° | 4.10 ± 0.60 | kcal/mol | LPES | Bowen and Eaton, 1988 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.0 ± 2.5 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1994 | gas phase; B |
By formula: (CS2- • CS2) + CS2 = (CS2- • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.60 ± 0.70 | kcal/mol | N/A | Tsukuda, Hirose, et al., 1997 | gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B |
ΔrH° | 6.4 ± 1.4 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1994 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.1 ± 3.3 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1994 | gas phase; B |
By formula: S2+ + CS2 = (S2+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.9 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
ΔrH° | 28.8 | kcal/mol | PI | Ono, Linn, et al., 1981 | gas phase; M |
ΔrH° | 21.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; equilibrium uncertain; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
ΔrS° | 17.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; equilibrium uncertain; M |
By formula: (F- • 2CS2) + CS2 = (F- • 3CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.4 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; Estimated entropy; single temperature measurement; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17. | cal/mol*K | N/A | Hiraoka, Fujimaki, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.3 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; Estimated entropy; single temperature measurement; B |
By formula: F- + CS2 = (F- • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.0 ± 1.5 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
ΔrH° | 31.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.2 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26.5 ± 1.5 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
ΔrG° | 24.1 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B |
By formula: CS2+ + CS2 = (CS2+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.9 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
ΔrH° | 21.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
ΔrH° | 17.5 | kcal/mol | PI | Ono, Linn, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: (CS2+ • 2CS2) + CS2 = (CS2+ • 3CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.9 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 3.9 | kcal/mol | PI | Ono, Linn, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17. | cal/mol*K | N/A | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; Entropy change calculated or estimated; M |
By formula: (Cl- • 3CS2) + CS2 = (Cl- • 4CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.8 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; Estimated entropy; single temperature measurement; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.1 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; Estimated entropy; single temperature measurement; B |
By formula: CHS2+ + CS2 = (CHS2+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.0 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1993, 2 | gas phase; M |
ΔrH° | 11.1 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 14.5 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993, 2 | gas phase; M |
ΔrS° | 26.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: (Cl- • 2CS2) + CS2 = (Cl- • 3CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.20 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.3 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.8 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: (Cl- • CS2) + CS2 = (Cl- • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.70 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.8 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.0 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: (F- • CS2) + CS2 = (F- • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.70 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.3 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.1 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: (I- • CS2) + CS2 = (I- • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.80 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.2 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: (Br- • CS2) + CS2 = (Br- • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.30 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.4 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.2 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: I- + CS2 = (I- • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.40 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.7 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.4 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: Br- + CS2 = (Br- • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.30 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 13.0 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.4 ± 1.0 | kcal/mol | TDAs | Hiraoka, Fujimaki, et al., 1993 | gas phase; B |
By formula: (S2+ • 2CS2) + CS2 = (S2+ • 3CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.5 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17. | cal/mol*K | N/A | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; Entropy change calculated or estimated; M |
By formula: (S2- • CS2) + CS2 = (S2- • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.1 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; Entropy change calculated or estimated; M |
By formula: (CS2+ • CS2) + CS2 = (CS2+ • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.5 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
ΔrH° | 4.4 | kcal/mol | PI | Ono, Linn, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
By formula: CH3+ + CS2 = (CH3+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.2 | kcal/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M |
By formula: (CS2- • 3CS2) + CS2 = (CS2- • 4CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.3 ± 6.7 | kcal/mol | N/A | Tsukuda, Hirose, et al., 1997 | gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B |
By formula: (CS2- • 4CS2) + CS2 = (CS2- • 5CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.8 ± 6.6 | kcal/mol | N/A | Tsukuda, Hirose, et al., 1997 | gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B |
By formula: (CS2- • 2CS2) + CS2 = (CS2- • 3CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -23.40 | kcal/mol | N/A | Tsukuda, Hirose, et al., 1997 | gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B |
By formula: (S2+ • CS2) + CS2 = (S2+ • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.3 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
By formula: (CHS2+ • CS2) + CS2 = (CHS2+ • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.7 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1993, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 14.3 | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1993, 2 | gas phase; M |
By formula: S2- + CS2 = (S2- • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.1 | kcal/mol | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29. | cal/mol*K | PHPMS | Hiraoka, Fujimaki, et al., 1994, 2 | gas phase; M |
By formula: C6H6+ + CS2 = (C6H6+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | PHPMS | Meot-Ner (Mautner), Hamlet, et al., 1978 | gas phase; M |
By formula: (CS2+ • 3CS2) + CS2 = (CS2+ • 4CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.6 | kcal/mol | PI | Ono, Linn, et al., 1980 | gas phase; M |
By formula: (Fe+ • CS2) + CS2 = (Fe+ • 2CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.9 ± 1.4 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: CS+ + CS2 = (CS+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.0 | kcal/mol | PI | Ono, Linn, et al., 1981 | gas phase; M |
By formula: S+ + CS2 = (S+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.7 | kcal/mol | PI | Gress, Linn, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.6 ± 0.3 | kcal/mol | Cm | Gattow and Krebes, 1963 | liquid phase; ALS |
By formula: Fe+ + CS2 = (Fe+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.7 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: V+ + CS2 = (V+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.2 ± 3.0 | kcal/mol | CIDT | Schroeder, Kretzschmar, et al., 2003 | RCD |
By formula: Mo+ + CS2 = (Mo+ • CS2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.1 ± 3.0 | kcal/mol | CIDT | Schroeder, Kretzschmar, et al., 2003 | RCD |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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
B - John E. Bartmess
View reactions leading to CS2+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.073 ± 0.005 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 163.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 157.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.5525 ± 0.0013 | N/A | Cavanagh, Gibson, et al., 2012 | poor Franck-Condon overlap makes previous LPES studies too bound; B |
0.580 ± 0.050 | LPES | Misaizu, Tsunoyama, et al., 2004 | Vertical Detachment Energy: 1.27±0.10 eV; B |
0.51 ± 0.10 | IMRE | Chowdhury, Heinis, et al., 1986 | ΔGea(423 K) = -12.7 kcal/mol; ΔSea (estimated) = +2.0 eu.; B |
<0.799982 | LPES | Scheidt and Weinkauf, 1997 | B |
0.000694 | N/A | Compton, Dunning, et al., 1996 | Quadrupole-bound state; B |
0.60 ± 0.10 | ECD | Chen and Wentworth, 1983 | B |
0.50 ± 0.20 | Endo | Hughes, Lifschitz, et al., 1973 | B |
1.460 ± 0.020 | LPES | Tsukuda, Hirose, et al., 1997 | EA given is Vertical Detachment Energy. Poor Franck-Condon overlap; B |
0.89 ± 0.20 | LPES | Oakes and Ellison, 1986 | The discrepancy with equilibrium has not been resolved. Poor Franck-Condon overlap.; B |
1.00 ± 0.20 | NBIE | Compton, Reinhardt, et al., 1975 | B |
0.94 ± 0.32 | IMRB | Kraus, Muller-Duysing, et al., 1961 | Between NH2-, C-; B |
Ionization energy determinations
Appearance energy determinations
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- LIQUID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)
4, 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed 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 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 | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 118705 |
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, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-5 | 100. | 564.4 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Capillary | DB-5 | 120. | 576.0 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Capillary | DB-5 | 60. | 558.0 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Capillary | DB-5 | 80. | 557.3 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Packed | SE-30 | 42. | 539. | Rudenko, Mal'tsev, et al., 1985 | Column length: 3. m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-1 | 512. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-20 | 733. | 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, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 544. | Insausti, Goñi, et al., 2005 | 50. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min |
Capillary | CP Sil 8 CB | 538. | Elmore, Mottram, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 568. | Beaulieu and Grimm, 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 745. | Malliaa, Fernandez-Garcia, et al., 2005 | 60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 701. | Bianchi, Cantoni, et al., 2007 | 30. m/0.25 mm/0.25 μm; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min) |
Capillary | Supelcowax-10 | 701. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | CP-Wax 52CB | 751. | Condurso, Verzera, et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C |
Capillary | Carbowax 20M | 780. | Whitfield, Shea, et al., 1981 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Polydimethyl siloxane with 5 % Ph groups | 100. | 564. | Safa and Hadjmohannadi, 2005 | 30. m/0.25 mm/0.10 μm, Nitrogen |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 60. | 558. | Safa and Hadjmohannadi, 2005 | 30. m/0.25 mm/0.10 μm, Nitrogen |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 80. | 557. | Safa and Hadjmohannadi, 2005 | 30. m/0.25 mm/0.10 μm, Nitrogen |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 517. | 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 | 536. | 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 | 530. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | PONA | 537. | Yang, Wang, et al., 2003 | 50. m/0.20 mm/0.50 μm, 2. K/min; Tstart: 30. C; Tend: 150. C |
Capillary | PONA | 537. | Yang, Yang, et al., 2003 | 50. m/0.20 mm/0.50 μm, Helium, 2. K/min; Tstart: 30. C; Tend: 170. C |
Capillary | SPB-5 | 533. | Pérès, Begnaud, et al., 2002 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 200. C @ 5. min |
Capillary | HP-5 | 536. | García, Martín, et al., 2000 | 60. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C |
Capillary | DB-1 | 517. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Capillary | OV-101 | 512. | del Rosario, de Lumen, et al., 1984 | He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; Tend: 225. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 540. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | VF-5 | 569. | Shivashankar, Roy, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min) |
Capillary | VF-5 | 568. | Shivashankar, Roy, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5 | 544. | Pugliese, Sirtori, et al., 2009 | 50. m/0.32 mm/1.05 μm, Helium; Program: not specified |
Capillary | HP-1 | 515. | Barra, Baldovini, et al., 2007 | 50. m/0.2 mm/0.33 μm, He; Program: 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) |
Capillary | DB-5 MS | 517. | Liu, Xu, et al., 2007 | 60. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) |
Capillary | HP-5 | 534. | 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 | 534. | 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 | BPX-5 | 549. | Machiels, Istasse, et al., 2004 | 60. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) |
Capillary | RTX-5 MS | 549. | Machiels and Istasse, 2003 | 60. m/0.25 mm/0.5 μm, He; Program: 35C (3min) => 10C/min => 50C => 4C/min => 200C => 50C/min => 250C (10min) |
Capillary | PONA | 537. | Yang, Wang, et al., 2003 | 50. m/0.20 mm/0.50 μm; Program: not specified |
Capillary | Methyl phenyl siloxane (not specified) | 536. | Poligne, Collignan, et al., 2002 | Program: not specified |
Capillary | DB-5 MS | 561. | Luo and Agnew, 2001 | 30. m/0.25 mm/1.0 μm, Helium; Program: not specified |
Capillary | Polydimethyl siloxanes | 530. | Zenkevich, 2001 | Program: not specified |
Capillary | SPB-1 | 527. | 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 | 518. | Nedjma and Maujean, 1995 | 30. m/0.32 mm/4. μm, H2; Program: 35(1)-10 -> 55-25 ->250 |
Capillary | Methyl Silicone | 524. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
Capillary | DB-1 | 513. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 514. | Ciccioli, Brancaleoni, et al., 1993 | 60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min |
Capillary | SPB-1 | 527. | 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 | 524. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | CP Sil 8 CB | 539. | Weller and Wolf, 1989 | 40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C |
Capillary | OV-1 | 524. | Ramsey and Flanagan, 1982 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 710. | Ganeko, Shoda, et al., 2008 | 4. K/min; Column length: 60. m; Column diameter: 0.35 mm; Tstart: 40. C; Tend: 200. C |
Capillary | TC-Wax | 735. | Ishikawa, Ito, et al., 2004 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; Tend: 230. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polyethylene Glycol | 748. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
Capillary | Carbowax 20M | 745. | Ramsey and Flanagan, 1982 | Program: not specified |
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, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
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- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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