Propane
- Formula: C3H8
- Molecular weight: 44.0956
- IUPAC Standard InChIKey: ATUOYWHBWRKTHZ-UHFFFAOYSA-N
- CAS Registry Number: 74-98-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: n-Propane; Dimethylmethane; Freon 290; Liquefied petroleum gas; LPG; Propyl hydride; R 290; C3H8; UN 1978; A-108; Hydrocarbon propellant A-108; HC 290
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -104.7 ± 0.50 | kJ/mol | Ccb | Pittam and Pilcher, 1972 | ALS |
ΔfH°gas | -103.8 ± 0.59 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Hf derived from Heat of Hydrogenation; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -2219.2 ± 0.46 | kJ/mol | Ccb | Pittam and Pilcher, 1972 | Corresponding ΔfHºgas = -104.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -2204.0 ± 0.54 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Hf derived from Heat of Hydrogenation; Corresponding ΔfHºgas = -119.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -2219.9 ± 0.50 | kJ/mol | Ccb | Rossini, 1934 | Corresponding ΔfHºgas = -103.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -2207. | kJ/mol | Ccb | Guinchant, 1918 | Corresponding ΔfHºgas = -117. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
34.06 | 50. | Chao J., 1973 | Recommended values are in good agreement with those calculated by [ Pitzer K.S., 1944].; GT |
41.30 | 100. | ||
48.79 | 150. | ||
56.07 | 200. | ||
68.74 | 273.15 | ||
73.60 | 298.15 | ||
73.93 | 300. | ||
94.01 | 400. | ||
112.59 | 500. | ||
128.70 | 600. | ||
142.67 | 700. | ||
154.77 | 800. | ||
165.35 | 900. | ||
174.60 | 1000. | ||
182.67 | 1100. | ||
189.74 | 1200. | ||
195.85 | 1300. | ||
201.21 | 1400. | ||
205.89 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
48.91 | 148.2 | Ernst G., 1970 | Please also see Kistiakowsky G.B., 1940, Kistiakowsky G.B., 1940, 2, Dailey B.P., 1943.; GT |
50.38 | 157.8 | ||
58.58 | 213.1 | ||
59.29 | 219.2 | ||
65.90 | 258.0 | ||
67.74 | 272.38 | ||
72.67 ± 0.07 | 293.15 | ||
73.55 | 300.37 | ||
76.11 ± 0.08 | 313.15 | ||
80.30 ± 0.08 | 333.15 | ||
80.54 | 334.05 | ||
82.26 | 343.65 | ||
84.40 ± 0.08 | 353.15 | ||
85.19 | 360.05 | ||
87.45 | 368.55 | ||
90.46 | 387.75 | ||
104.89 | 452.55 | ||
116.69 | 521.15 | ||
121.75 | 561.95 | ||
128.66 | 603.25 | ||
140.62 | 693.15 |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -119.8 ± 0.59 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Hf derived from Heat of Hydrogenation; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 171.0 | J/mol*K | N/A | Kemp and Egan, 1938 | Debye extrapolation, 0 to 15 K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
98.36 | 230. | Vas'kov, 1982 | T = 90 to 230 K. Cp given as 2.2305 J/g*K.; DH |
119.6 | 300. | Goodwin, 1978 | T = 81 to 289 K. Cp data reported for an extended data set; unsmoothed experimental datum.; DH |
98.28 | 230. | Kemp and Egan, 1938 | T = 15 to 230 K.; DH |
Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 231.1 ± 0.2 | K | AVG | N/A | Average of 17 out of 21 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 85.5 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 85.46 | K | N/A | Klipping and Schmidt, 1965 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 83.25 | K | N/A | Harteck and Edse, 1938 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 86.05 | K | N/A | Hicks-Brunn and Bruun, 1936 | Uncertainty assigned by TRC = 0.15 K; TRC |
Tfus | 85.35 | K | N/A | Timmermans, 1921 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 85. ± 3. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 1.685×10-9 | bar | N/A | Younglove and Ely, 1987 | Uncertainty assigned by TRC = 1.×10-12 bar; TRC |
Ptriple | 1.6895×10-9 | bar | N/A | Goodwin and Haynes, 1982 | TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 369.9 ± 0.2 | K | AVG | N/A | Average of 30 out of 37 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 42.5 ± 0.1 | bar | AVG | N/A | Average of 25 out of 32 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.200 | l/mol | N/A | Ambrose and Tsonopoulos, 1995 | |
Vc | 0.2 | l/mol | N/A | Younglove and Ely, 1987 | Uncertainty assigned by TRC = 0.001 l/mol; TRC |
Vc | 0.198 | l/mol | N/A | Barber, Kay, et al., 1982 | Uncertainty assigned by TRC = 0.004 l/mol; TRC |
Vc | 0.202 | l/mol | N/A | Meyer, 1941 | Uncertainty assigned by TRC = 0.003 l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 5.1 ± 0.4 | mol/l | AVG | N/A | Average of 14 out of 15 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 16.25 | kJ/mol | N/A | Majer and Svoboda, 1985 |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
18.774 | 231.04 | N/A | Kemp and Egan, 1938 | DH |
19.04 | 231.1 | N/A | Majer and Svoboda, 1985 | |
18.8 | 293. | A | Stephenson and Malanowski, 1987 | Based on data from 278. to 332. K.; AC |
19.5 | 233. | A | Stephenson and Malanowski, 1987 | Based on data from 165. to 248. K.; AC |
22.1 | 150. | A | Stephenson and Malanowski, 1987 | Based on data from 104. to 165. K.; AC |
19.0 | 266. | A | Stephenson and Malanowski, 1987 | Based on data from 231. to 281. K.; AC |
19.2 | 344. | A | Stephenson and Malanowski, 1987 | Based on data from 329. to 369. K.; AC |
18.9 | 327. | N/A | Majer, Sváb, et al., 1980 | Based on data from 312. to 367. K.; AC |
18.77 | 256. | N/A | Reid, 1972 | AC |
20.0 | 216. | N/A | Reidel, 1938 | Based on data from 166. to 231. K.; AC |
Enthalpy of vaporization
ΔvapH = A exp(-αTr)
(1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | 278. to 361. |
---|---|
A (kJ/mol) | 27.9 |
α | 0.0208 |
β | 0.3766 |
Tc (K) | 369.8 |
Reference | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
81.26 | 231.04 | Kemp and Egan, 1938 | DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
277.6 to 360.8 | 4.53678 | 1149.36 | 24.906 | Helgeson and Sage, 1967 | Coefficents calculated by NIST from author's data. |
230.6 to 320.7 | 3.98292 | 819.296 | -24.417 | Rips, 1963 | Coefficents calculated by NIST from author's data. |
166.02 to 231.41 | 4.01158 | 834.26 | -22.763 | Kemp and Egan, 1938 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
28.5 | 86. | B | Bondi, 1963 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
3.51 | 85.5 | AC | Perkins, Ochoa, et al., 2009 | AC |
3.52 | 85.5 | N/A | Acree, 1991 | AC |
Temperature of phase transition
Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|
45.5 | crystaline | glass | Takeda, Oguni, et al., 1990 | DH |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
3.524 | 85.45 | crystaline, I | liquid | Kemp and Egan, 1938 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
41.24 | 85.45 | crystaline, I | liquid | Kemp and Egan, 1938 | 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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
C3H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1755. ± 8.4 | kJ/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrH° | 1755. ± 20. | kJ/mol | Bran | Peerboom, Rademaker, et al., 1992 | gas phase; B |
ΔrH° | 1753. ± 8.4 | kJ/mol | Bran | DePuy, Bierbaum, et al., 1984 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1721. ± 8.8 | kJ/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrG° | 1722. ± 21. | kJ/mol | H-TS | Peerboom, Rademaker, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -123.4 ± 5.0 | kJ/mol | Chyd | Kistiakowsky and Nickle, 1951 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -124.9 ± 2.1 kJ/mol; ALS |
ΔrH° | -125.0 ± 0.42 | kJ/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1935 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -126.00 ± 0.054 kJ/mol; At 355 °K; ALS |
By formula: H2 + C3H7F = C3H8 + HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -84.5 ± 1.3 | kJ/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -88.3 ± 2.9 kJ/mol; %hf298_gas[kcal/mol]=-66.97±0.71; Kolesov and Kozina, 1986; ALS |
By formula: H2 + C3H7F = C3H8 + HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -92.0 ± 2.1 | kJ/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -95.7 ± 6.7 kJ/mol; %hf298_gas[kcal/mol]=-66.71±0.62; Kolesov and Kozina, 1986; ALS |
By formula: 2H2 + C3H6Cl2 = C3H8 + 2HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -126.5 ± 1.1 | kJ/mol | Chyd | Lacher, Amador, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -130.60 ± 0.54 kJ/mol; At 250 C; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -289.6 ± 0.63 | kJ/mol | Chyd | Conn, Kistiakowsky, et al., 1939 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -288.8 ± 0.59 kJ/mol; At 355 K; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -295.1 ± 1.0 | kJ/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1936 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -298.2 ± 0.84 kJ/mol; At 355 °K; ALS |
By formula: H2 + C3H7Br = HBr + C3H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -45.40 ± 0.92 | kJ/mol | Chyd | Davies, Lacher, et al., 1965 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -45.06 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1739. ± 8.4 | kJ/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1704. ± 8.8 | kJ/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
By formula: C3H7+ + C3H8 = (C3H7+ • C3H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.9 | kJ/mol | PHPMS | Sunner, Hirao, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 123. | J/mol*K | PHPMS | Sunner, Hirao, et al., 1989 | gas phase; M |
By formula: C4H9+ + C3H8 = (C4H9+ • C3H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28. | kJ/mol | PHPMS | Sunner, Hirao, et al., 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 93.3 | J/mol*K | PHPMS | Sunner, Hirao, et al., 1989 | gas phase; M |
By formula: Fe+ + C3H8 = (Fe+ • C3H8)
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
74.9 (+4.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: Co+ + C3H8 = (Co+ • C3H8)
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
129. (+5.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
C3H7BrMg (solution) + (g) =
(solution) + Br2Mg (solution)
By formula: C3H7BrMg (solution) + HBr (g) = C3H8 (solution) + Br2Mg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -305.9 ± 2.2 | kJ/mol | RSC | Holm, 1981 | solvent: Diethyl ether; MS |
By formula: C5O5W (g) + C3H8 (g) = C8H8O5W (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -33.9 ± 8.4 | kJ/mol | EqG | Brown, Ishikawa, et al., 1990 | Temperature range: ca. 300-350 K; MS |
By formula: H2 + C3H7Cl = C3H8 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -65.81 ± 0.67 | kJ/mol | Chyd | Davies, Lacher, et al., 1965 | gas phase; ALS |
By formula: H2 + C3H7Cl = C3H8 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -58.32 ± 0.71 | kJ/mol | Chyd | Davies, Lacher, et al., 1965 | gas phase; ALS |
By formula: C3H7Br + H2 = HBr + C3H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -56.78 | kJ/mol | Chyd | Davies, Lacher, et al., 1965 | 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 |
---|---|---|---|---|
0.0015 | 2700. | L | N/A | |
0.0014 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.0014 | L | N/A | ||
0.0015 | 2700. | L | N/A | |
0.0014 | V | N/A |
Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.94 ± 0.05 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 625.7 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 607.8 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11. ± 1. | PI | Au, Cooper, et al., 1993 | LL |
10.96 | EST | Luo and Pacey, 1992 | LL |
10.9 ± 0.1 | PE | Bieri, Burger, et al., 1977 | LLK |
11.27 ± 0.05 | EI | Flesch and Svec, 1973 | LLK |
11.01 ± 0.07 | EI | Finney and Harrison, 1972 | LLK |
10.94 ± 0.05 | TE | Stockbauer and Inghram, 1971 | LLK |
10.97 | PI | Vlaskov and Ovchinnikov, 1969 | RDSH |
11.06 | PE | Dewar and Worley, 1969 | RDSH |
11.09 ± 0.05 | EI | Williams and Hamill, 1968 | RDSH |
11.12 | CI | Cermak, 1968 | RDSH |
10.95 ± 0.05 | PI | Chupka and Berkowitz, 1967 | RDSH |
11.22 | EI | Lifshitz and Shapiro, 1966 | RDSH |
11.07 | PE | Turner and Al-Joboury, 1964 | RDSH |
11.07 | PE | Al-Joboury and Turner, 1964 | RDSH |
11.51 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
11.5 | PE | Bieri and Asbrink, 1980 | Vertical value; LLK |
11.5 ± 0.1 | PE | Bieri, Burger, et al., 1977 | Vertical value; LLK |
11.5 | PE | Murrell and Schmidt, 1972 | Vertical value; LLK |
Appearance energy determinations
De-protonation reactions
C3H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1755. ± 8.4 | kJ/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrH° | 1755. ± 20. | kJ/mol | Bran | Peerboom, Rademaker, et al., 1992 | gas phase; B |
ΔrH° | 1753. ± 8.4 | kJ/mol | Bran | DePuy, Bierbaum, et al., 1984 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1721. ± 8.8 | kJ/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrG° | 1722. ± 21. | kJ/mol | H-TS | Peerboom, Rademaker, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1739. ± 8.4 | kJ/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1704. ± 8.8 | kJ/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
Ion clustering data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: 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: C3H7+ + C3H8 = (C3H7+ • C3H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 56.9 | kJ/mol | PHPMS | Sunner, Hirao, et al., 1989 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 123. | J/mol*K | PHPMS | Sunner, Hirao, et al., 1989 | gas phase |
By formula: C4H9+ + C3H8 = (C4H9+ • C3H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28. | kJ/mol | PHPMS | Sunner, Hirao, et al., 1989 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 93.3 | J/mol*K | PHPMS | Sunner, Hirao, et al., 1989 | gas phase |
By formula: Co+ + C3H8 = (Co+ • C3H8)
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
129. (+5.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID |
By formula: Fe+ + C3H8 = (Fe+ • C3H8)
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
74.9 (+4.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
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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
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. |
---|---|
NIST MS number | 18863 |
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: C2ν Symmetry Number σ = 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | CH3 d-str | 2977 | C | 2977 | gas | ||||
a1 | 2 | CH3 s-str | 2962 | D | 2962 | gas | ||||
a1 | 3 | CH2 s-str | 2887 | C | 2887 | gas | ||||
a1 | 4 | CH3 d-deform | 1476 | C | 1476 | gas | ||||
a1 | 5 | CH2 scis | 1462 | C | 1462 | gas | ||||
a1 | 6 | CH3 s-deform | 1392 | C | 1392 | gas | ||||
a1 | 7 | CH3 rock | 1158 | C | 1158 | gas | 1152 W | liq. | ||
a1 | 8 | CC str | 869 | C | 869 | gas | 867 S | liq. | ||
a1 | 9 | CCC deform | 369 | C | 369 | gas | 375 W | liq. | ||
a2 | 10 | CH3 d-str | 2967 | C | ia | 2967 M | liq. | |||
a2 | 11 | CH3 d-deform | 1451 | C | ia | 1451 S | liq. | |||
a2 | 12 | CH2 twist | 1278 | C | ia | 1278 W | liq. | |||
a2 | 13 | CH3 rock | 940 | D | ia | 940 VW | liq. | |||
a2 | 14 | Torsion | 216 | C | ia | MW ( ?/?) | ||||
b1 | 15 | CH3 d-str | 2968 | C | 2968 | gas | ||||
b1 | 16 | CH3 s-str | 2887 | C | 2887 | gas | OV(ν3) | |||
b1 | 17 | CH3 d-deform | 1464 | C | 1464 | gas | ||||
b1 | 18 | CH3 s-deform | 1378 | C | 1378 | gas | ||||
b1 | 19 | CH2 wag | 1338 | C | 1338 | gas | 1338 M | liq. | ||
b1 | 20 | CC str | 1054 | C | 1054 | gas | 1054 M | liq. | ||
b1 | 21 | CH3 rock | 922 | C | 922 | gas | ||||
b2 | 22 | CH3 d-str | 2973 | C | 2973 | gas | ||||
b2 | 23 | CH2 a-str | 2968 | C | 2968 | gas | ||||
b2 | 24 | CH3 d-deform | 1472 | C | 1472 | gas | ||||
b2 | 25 | CH3 rock | 1192 | C | 1192 | gas | ||||
b2 | 26 | CH2 rock | 748 | C | 748 | gas | ||||
b2 | 27 | Torsion | 268 | C | MW ( ?/?) | |||||
Source: Shimanouchi, 1972
Notes
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
ia | Inactive |
OV | Overlapped by band indicated in parentheses. |
MW | Torsional Frequency calculated from microwave spectroscopic data. |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Site Links, NIST Free Links, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Site Links, NIST Free Links, NIST Subscription Links, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy Pc Critical pressure Ptriple Triple point pressure S°liquid Entropy of liquid at standard conditions T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Ttrs Temperature of phase transition Vc Critical volume d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy 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 ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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