Carbon Tetrachloride
- Formula: CCl4
- Molecular weight: 153.823
- IUPAC Standard InChIKey: VZGDMQKNWNREIO-UHFFFAOYSA-N
- CAS Registry Number: 56-23-5
- 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: Methane, tetrachloro-; Benzinoform; Carbon chloride (CCl4); Carbona; Fasciolin; Flukoids; Freon 10; Necatorina; Perchloromethane; Tetrachlorocarbon; Tetrachloromethane; Tetrafinol; Tetraform; Tetrasol; Univerm; Vermoestricid; CCl4; Benzenoform; Carbon tet; Methane tetrachloride; Czterochlorek wegla; ENT 4,705; Halon 1040; Necatorine; R 10; Tetrachloorkoolstof; Tetrachloormetaan; Tetrachlorkohlenstoff, tetra; Tetrachlormethan; Tetrachlorure de carbone; Tetraclorometano; Tetracloruro di carbonio; Chlorid uhlicity; ENT 27164; Rcra waste number U211; UN 1846; Katharin; Seretin; Thawpit; NSC 97063; R 10 (Refrigerant)
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -25. ± 5. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 74.008 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1968 |
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 6000. |
---|---|
A | 24.64469 |
B | 1.001110 |
C | -0.269234 |
D | 0.022867 |
E | -0.458801 |
F | -31.86800 |
G | 100.9640 |
H | -22.94000 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1968 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -30.62 ± 0.60 | kcal/mol | Review | Manion, 2002 | adopted combustion calorimetry data of Hu and Sinke, 1969 with increased uncertainty to reflect other data; DRB |
ΔfH°liquid | -30.69 | kcal/mol | Ccr | Hu and Sinke, 1969, 2 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -86.02 | kcal/mol | Ccr | Hu and Sinke, 1969, 2 | ALS |
ΔcH°liquid | -87.4 ± 2.0 | kcal/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -87. ± 3. kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 51.240 | cal/mol*K | N/A | Hicks, Hooley, et al., 1944 | DH |
S°liquid | 49.09 | cal/mol*K | N/A | Latimer, 1922 | DH |
S°liquid | 52.39 | cal/mol*K | N/A | Stull, 1937 | Extrapolation below 91 K; 74.31 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
31.38 | 298.15 | Shehatta, 1993 | DH |
31.871 | 298.15 | Lainez, Rodrigo, et al., 1989 | DH |
31.79 | 298.15 | Petrov, Peshekhodov, et al., 1989 | T = 258.15, 278.15, 298.15, 318.15 K.; DH |
31.76 | 298.15 | Nkinamubanzi, Charlet, et al., 1985 | DH |
31.391 | 298.15 | Tanaka, 1982 | T = 293.15, 298.15, 303.15 K. Data at three temperatures.; DH |
31.02 | 293.15 | Atalla, El-Sharkawy, et al., 1981 | DH |
31.45 | 298.15 | Grolier, Hamedi, et al., 1979 | DH |
31.405 | 298.15 | Vesely, Zabransky, et al., 1979 | DH |
31.396 | 298.15 | Wilhelm, Faradjzadeh, et al., 1979 | DH |
31.446 | 298.15 | Grolier, Wilhelm, et al., 1978 | DH |
31.405 | 298.15 | Vesely, Svoboda, et al., 1977 | T = 298 to 318 K.; DH |
31.396 | 298.15 | Fortier, Benson, et al., 1976 | DH |
31.4056 | 298.15 | Fortier and Benson, 1976 | DH |
31.52 | 298.15 | Grolier, Benson, et al., 1975 | DH |
31.467 | 293.15 | Wilhelm, Zettler, et al., 1974 | T = 273 to 323 K.; DH |
31.26 | 298.15 | Subrahmanyam and Rajagopal, 1973 | T = 298 to 323 K.; DH |
31.50 | 256.10 | Arentsen and Van Miltenburg, 1972 | T = 243 to 256 K. Value is unsmoothed experimental datum.; DH |
31.31 | 298. | Deshpande and Bhatagadde, 1971 | T = 298 to 318 K.; DH |
31.43 | 293. | Rastorguev and Ganiev, 1967 | T = 293 to 333 K.; DH |
31.29 | 300. | Harrison and Moelwyn-Hughes, 1957 | T = 243 to 303 K.; DH |
31.19 | 303.3 | Harrison and Moelwyn-Hughes, 1957 | T = 254 to 303 K. Unsmoothed experimental datum.; DH |
31.690 | 298. | Staveley, Tupman, et al., 1955 | T = 295 to 339 K.; DH |
30.78 | 298. | Kurbatov, 1948 | T = -20 to 72°C. Mean Cp, four temperatures.; DH |
31.470 | 298.15 | Hicks, Hooley, et al., 1944 | T = 15 to 300 K.; DH |
31.60 | 298.1 | Zhdanov, 1941 | T = 5 to 46°C.; DH |
31.81 | 301.2 | Phillip, 1939 | DH |
31.699 | 298.1 | Stull, 1937 | T = 90 to 320 K.; DH |
31.81 | 298. | Vold, 1937 | DH |
31.79 | 298. | Vold, 1937 | Cp given as 0.2066 cal/g*K.; DH |
30.21 | 288.3 | Kolosovskii and Udovenko, 1934 | DH |
30.21 | 288.3 | de Kolossowsky and Udowenko, 1933 | DH |
31.19 | 298.1 | Richards and Wallace, 1932 | T = 293 to 323 K.; DH |
30.59 | 293.2 | Williams and Daniels, 1925 | T = 20 to 50°C.; DH |
30.81 | 303. | Willams and Daniels, 1924 | T = 303 to 330 K. Equation only.; DH |
32.00 | 290. | Latimer, 1922 | T = 39.1 to 290 K.; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.57 | 46. | Atake and Chihara, 1971 | T = 3 to 46 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Vibrational and/or electronic energy levels, 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
BS - Robert L. Brown and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 349.8 ± 0.3 | K | AVG | N/A | Average of 82 out of 89 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 250.3 ± 0.3 | K | AVG | N/A | Average of 31 out of 37 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 249. ± 3. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 556.36 | K | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tc | 556.4 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 556.3 | K | N/A | Campbell and Chatterjee, 1969 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tc | 558.35 | K | N/A | Livingston, Morgan, et al., 1908 | Uncertainty assigned by TRC = 5. K; calculation based on extrap. of density and surface tension; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 44.34 | atm | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.49 atm; TRC |
Pc | 44.980 | atm | N/A | Campbell and Chatterjee, 1969 | Uncertainty assigned by TRC = 0.09998 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.62 | mol/l | N/A | Campbell and Chatterjee, 1969 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
ρc | 3.625 | mol/l | N/A | Kordes, 1954 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
ρc | 3.625 | mol/l | N/A | Lewis, 1953 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.7 ± 0.4 | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.127 | 349.9 | N/A | Majer and Svoboda, 1985 | |
7.27 | 364. | A | Stephenson and Malanowski, 1987 | Based on data from 349. to 416. K.; AC |
6.98 | 427. | A | Stephenson and Malanowski, 1987 | Based on data from 412. to 497. K.; AC |
7.31 | 509. | A | Stephenson and Malanowski, 1987 | Based on data from 494. to 555. K.; AC |
8.05 | 277. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 262. to 349. K. See also Boublík and Aim, 1972.; AC |
7.72 | 308. | N/A | Hildenbrand and McDonald, 1959 | Based on data from 293. to 351. K.; AC |
7.58 | 325. | N/A | Barker, Brown, et al., 1953 | Based on data from 313. to 338. 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 |
---|---|---|---|---|---|
298. to 358. | 10.96 | 0.2656 | 556.4 | 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 |
---|---|---|---|---|---|
293.03 to 350.86 | 4.01720 | 1221.781 | -45.739 | Hildenbrand and McDonald, 1959, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.06 | 227. to 248. | N/A | Goto, Fujinawa, et al., 1996 | AC |
10.3 | 226. | B | Bondi, 1963 | AC |
9.27 | 217. | N/A | Jones, 1960 | Based on data from 209. to 225. K. See also Goto, Fujinawa, et al., 1996.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.643 | 249. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.897 | 224.6 | Domalski and Hearing, 1996 | CAL |
2.586 | 249. | ||
4.85 | 225.4 | ||
2.41 | 250.3 | ||
4.90 | 225.7 | ||
2.44 | 250.5 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.107 | 225.7 | crystaline, II | crystaline, I | Morrison and Richards, 1976 | DH |
0.6123 | 250.53 | crystaline, I | liquid | Morrison and Richards, 1976 | DH |
0.4417 | 245.70 | crystaline, II | liquid | Arentsen and Van Miltenburg, 1972 | DH |
0.6185 | 250.28 | crystaline, I | liquid | Arentsen and Van Miltenburg, 1972 | Stable phase.; DH |
1.095 | 225.35 | crystaline, II | crystaline, I | Chang and Westrum, 1970 | DH |
0.6011 | 250.3 | crystaline, I | liquid | Chang and Westrum, 1970 | DH |
1.095 | 225.35 | crystaline, II | crystaline, I | Hicks, Hooley, et al., 1944 | DH |
0.6011 | 250.3 | crystaline, I | liquid | Hicks, Hooley, et al., 1944 | DH |
1.099 | 224.6 | crystaline, II | crystaline, I | Latimer, 1922 | DH |
0.6439 | 249. | crystaline, I | liquid | Latimer, 1922 | DH |
1.100 | 225.63 | crystaline, II | crystaline, I | Stull, 1937 | DH |
0.5810 | 250.37 | crystaline, I | liquid | Stull, 1937 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
4.904 | 225.7 | crystaline, II | crystaline, I | Morrison and Richards, 1976 | DH |
2.4441 | 250.53 | crystaline, I | liquid | Morrison and Richards, 1976 | DH |
1.80 | 245.70 | crystaline, II | liquid | Arentsen and Van Miltenburg, 1972 | DH |
2.443 | 250.28 | crystaline, I | liquid | Arentsen and Van Miltenburg, 1972 | Stable; DH |
4.859 | 225.35 | crystaline, II | crystaline, I | Chang and Westrum, 1970 | DH |
2.400 | 250.3 | crystaline, I | liquid | Chang and Westrum, 1970 | DH |
4.859 | 225.35 | crystaline, II | crystaline, I | Hicks, Hooley, et al., 1944 | DH |
2.402 | 250.3 | crystaline, I | liquid | Hicks, Hooley, et al., 1944 | DH |
4.90 | 224.6 | crystaline, II | crystaline, I | Latimer, 1922 | DH |
2.58 | 249. | crystaline, I | liquid | Latimer, 1922 | DH |
6.310 | 225.63 | crystaline, II | crystaline, I | Stull, 1937 | DH |
2.32 | 250.37 | crystaline, I | liquid | Stull, 1937 | DH |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões
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- + CCl4 = (Cl- • CCl4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.4 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
ΔrH° | 14.20 ± 0.70 | kcal/mol | TDAs | Dougherty, Dalton, et al., 1974 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.8 | cal/mol*K | HPMS | Dougherty, Dalton, et al., 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.05 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
ΔrG° | 5.90 ± 0.90 | kcal/mol | TDAs | Dougherty, Dalton, et al., 1974 | gas phase; B |
C8H6MoO3 (solution) + (solution) =
(solution) +
(solution)
By formula: C8H6MoO3 (solution) + CCl4 (solution) = C8H5ClMoO3 (solution) + CHCl3 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -31.81 ± 0.91 | kcal/mol | RSC | Nolan, López de la Vega, et al., 1986 | solvent: Tetrahydrofuran; The enthalpy of solution of Mo(Cp)(CO)3(H)(cr) was measured as 2.1 ± 0.1 kcal/mol Nolan, López de la Vega, et al., 1986, 2. Reaction temperature: 323 K; MS |
By formula: CO2 + CCl4 = 2CCl2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.8 ± 0.5 | kcal/mol | Eqk | Lord and Pritchard, 1969 | gas phase; Two values for Hf; ALS |
ΔrH° | 16.8 ± 0.5 | kcal/mol | Eqk | Lord and Pritchard, 1969 | gas phase; Two values for Hf; ALS |
By formula: CCl5- + 2CCl4 = C2Cl9-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.30 | kcal/mol | N/A | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.04 | kcal/mol | TDAs | Hiraoka, Mizuno, et al., 2001 | gas phase; B |
By formula: CHCl3 + Cl2 = CCl4 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -22.30 | kcal/mol | Cm | Kirkbride, 1956 | liquid phase; Heat of chlorination; ALS |
By formula: CCl4 + Br2 = BrCl + CBrCl3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.8 ± 0.3 | kcal/mol | Eqk | Mendenhall, Golden, et al., 1973 | gas phase; ALS |
C10H12Mo (cr) + 2 (l) = C10H10Cl2Mo (cr) + 2
(l)
By formula: C10H12Mo (cr) + 2CCl4 (l) = C10H10Cl2Mo (cr) + 2CHCl3 (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -76.8 ± 1.1 | kcal/mol | RSC | Calado, Dias, et al., 1979 | MS |
C10H12W (cr) + 2 (l) = C10H10Cl2W (cr) + 2
(l)
By formula: C10H12W (cr) + 2CCl4 (l) = C10H10Cl2W (cr) + 2CHCl3 (l)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -71.96 ± 0.81 | kcal/mol | RSC | Calado, Dias, et al., 1979 | MS |
By formula: 2CCl2O = CO2 + CCl4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -16.8 ± 0.5 | kcal/mol | Eqk | Lord and Pritchard, 1969 | gas phase; ALS |
Henry's Law data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: 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 |
---|---|---|---|---|
0.034 | 4200. | L | N/A | |
0.038 | 4100. | M | N/A | |
0.034 | 3600. | M | N/A | |
0.032 | 3400. | X | N/A | |
0.036 | M | N/A | ||
0.038 | 3600. | X | N/A | |
0.030 | 4200. | M | N/A | |
0.031 | 4200. | X | N/A | |
0.034 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.028 | 5600. | X | N/A | |
0.035 | 4100. | M | N/A | |
0.033 | 4000. | X | N/A | |
0.033 | 4400. | M | Gossett, 1987 | |
0.033 | 4300. | X | N/A | |
0.042 | 3200. | M | N/A | |
0.033 | 1100. | X | N/A | |
0.036 | 4400. | X | Leighton and Calo, 1981 | |
0.051 | L | N/A | ||
0.033 | 4700. | X | N/A | |
0.034 | V | N/A | ||
0.047 | C | N/A | ||
0.035 | V | N/A | ||
0.045 | M | Pearson and McConnell, 1975 | The same data was also published in missing citation. Value at T = 293. K. | |
0.038 | C | N/A | ||
0.039 | 4900. | M | N/A |
Vibrational and/or electronic energy levels
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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: Takehiko Shimanouchi
Symmetry: Td Symmetry Number σ = 12
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | Sym str | 459 | C | ia | 458.7 p | liq. | |||
e | 2 | Deg deform | 217 | C | ia | 217.0 dp | liq. | |||
f2 | 3 | Deg str | 776 | E | 789 VS | gas | 790.4 dp | liq. | FR(ν1+ν4) | |
f2 | 3 | Deg str | 776 | E | 768 VS | gas | 761.7 dp | liq. | FR(ν1+ν4) | |
f2 | 4 | Deg deform | 314 | C | 309.9 W | liq. | 313.5 dp | liq. | ||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
W | Weak |
ia | Inactive |
p | Polarized |
dp | Depolarized |
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
C | 3~6 cm-1 uncertainty |
E | 15~30 cm-1 uncertainty |
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 | C78, Branched paraffin | 130. | 680.5 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Capillary | DB-1 | 60. | 660. | Dewulf, Van Langenhove, et al., 1997 | 30. m/0.53 mm/5.0 μm, He |
Packed | C78, Branched paraffin | 130. | 680.7 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Packed | Apolane | 130. | 680. | Dutoit, 1991 | Column length: 3.7 m |
Packed | OV-1 | 100. | 667. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 125. | 673. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | OV-1 | 75. | 662. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | Squalane | 80. | 648. | Pacáková, Vojtechová, et al., 1988 | N2, Chezasorb AW-HMDS; Column length: 1.2 m |
Packed | SE-30 | 150. | 680. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Packed | SE-30 | 100. | 672. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Packed | Porapack Q | 200. | 628. | Goebel, 1982 | N2 |
Packed | Apolane | 70. | 663.1 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
Packed | Squalane | 50. | 647. | Vernon, 1971 | N2 |
Packed | Apiezon L | 100. | 679. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | DC-200 | 100. | 669. | Rohrschneider, 1966 | Column length: 4. m |
Packed | Squalane | 100. | 656. | Rohrschneider, 1966 | Column length: 5. m |
Packed | Apiezon L | 100. | 682. | Rohrschneider, 1966 | Column length: 5. m |
Packed | Apiezon L | 130. | 691. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Packed | Apiezon L | 70. | 671. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-1 | 657. | 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, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SP-1000 | 100. | 900.66 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 125. | 902.2 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | SP-1000 | 75. | 886.54 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
Packed | Carbowax 20M | 75. | 888. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Packed | Carbowax 20M | 100. | 895. | Rohrschneider, 1966 | Column length: 2. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-20 | 868. | 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 | DB-1 | 645.7 | Helmig, Pollock, et al., 1996 | 30. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Capillary | DB-5 | 661. | Helmig, Pollock, et al., 1996 | 60. m/0.33 mm/0.25 μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Capillary | SE-54 | 663. | Weber, 1986 | 25. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C |
Capillary | OV-1 | 652. | Schreyen, Dirinck, et al., 1976 | 1. K/min; Column length: 183. m; Column diameter: 0.762 mm; Tstart: 0. C; Tend: 230. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 879. | 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) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-1 | 60. | 661. | Shimadzu, 2003, 2 | 60. m/0.32 mm/1. μm, He |
Packed | Synachrom | 150. | 611. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Synachrom | 150. | 618. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Squalane | 100. | 651. | Vernon, 1971 | N2 |
Packed | DC-400 | 150. | 675. | Anderson, 1968 | Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 659. | MHA, 9999 | Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C |
Capillary | HP-5 | 656. | Isidorov and Jdanova, 2002 | 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 200. C |
Capillary | BP-1 | 663. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | SE-54 | 661. | Huang, Liang, et al., 1996 | 36. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 35. C; Tend: 240. C |
Capillary | DB-1 | 654. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
Capillary | OV-101 | 645. | Misharina, Golovnya, et al., 1991 | 50. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 645. | 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 | Methyl Silicone | 658. | Zenkevich, 2001 | Program: not specified |
Capillary | SPB-1 | 661. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | DB-5 | 664. | Sorimachi, Tanabe, et al., 1995 | He; Column length: 30. m; Program: not specified |
Capillary | Methyl Silicone | 658. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
Capillary | DB-1 | 645. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 645. | 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 | 661. | 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 | 659. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | CP Sil 8 CB | 664. | 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, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 646. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 658. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 672. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 673. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1 | 659. | Ramsey and Flanagan, 1982 | Program: not specified |
Capillary | SE-30 | 649. | Heydanek and McGorrin, 1981 | He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min) |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-Wax | 60. | 908. | Shimadzu, 2003, 2 | 50. m/0.32 mm/1. μm, He |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 900. | Shimadzu, 2012 | 30. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-Wax | 900. | Shimadzu Corporation, 2003 | 30. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax 10 | 864. | Soria, Martinez-Castro, et al., 2008 | 50. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) |
Capillary | Polyethylene Glycol | 886. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 888. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 886. | Ramsey and Flanagan, 1982 | Program: not specified |
Capillary | Polyethylene Glycol | 872. | MacLeod and Pieris, 1981 | 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, Vibrational and/or electronic energy levels, 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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Excess heat capacities of binary liquid mixtures determined with a Picker flow calorimeter,
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Specific heats of some liquids and azeotropic mixtures,
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Adiabatic and isothermal compressibilities of liquids,
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A calorimetric test of the solubility equation for regular solutions,
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Mesure des chaleurs specifique moleculaires de quelques liquides,
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The specific heats of five organic liquids from their adiabatic temperature-pressure coefficients,
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The specific heats of binary mixtures,
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The specific heats of certain organic liquids at elevated temperatures,
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Notes
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- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid Pc Critical pressure 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 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°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 ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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