1-Propene, 2-methyl-
- Formula: C4H8
- Molecular weight: 56.1063
- IUPAC Standard InChIKey: VQTUBCCKSQIDNK-UHFFFAOYSA-N
- CAS Registry Number: 115-11-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Propene, 2-methyl-; γ-Butylene; Isobutene; Isobutylene; Isopropylidenemethylene; 1,1-Dimethylethylene; 2-Methyl-1-propene; 2-Methylpropene; iso-C4H8; Methylpropene; UN 1055; 1,1-Dimethylethene; 2-Methylpropylene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- 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)
- UV/Visible spectrum
- Vibrational and/or electronic energy levels
- Gas Chromatography
- References
- Notes
- Options:
Gas phase thermochemistry data
Go To: Top, 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), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
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 | -17.9 ± 1.1 | kJ/mol | Cm | Prosen, Maron, et al., 1951 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -2699.5 ± 1.0 | kJ/mol | Cm | Prosen, Maron, et al., 1951 | Corresponding ΔfHºgas = -17.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -2722. | kJ/mol | Ccb | Guinchant, 1918 | Corresponding ΔfHºgas = 4.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 293.59 | J/mol*K | N/A | Stull D.R., 1969 | This value was obtained on the basis of calorimetric data [ Todd S.S., 1936]. Experimental value of S(298 K)=288.7 J/mol*K [ Todd S.S., 1936] could not be recommended because of its large uncertainty.; GT |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
35.68 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Recommended values are in close agreement with other statistically calculated values [ Kilpatrick J.E., 1946] as well as with ab initio value of S(298.15 K)=293.37 J/mol*K [ East A.L.L., 1997].; GT |
45.92 | 100. | ||
56.83 | 150. | ||
67.34 | 200. | ||
82.72 | 273.15 | ||
88.09 | 298.15 | ||
88.49 | 300. | ||
109.79 | 400. | ||
129.35 | 500. | ||
146.48 | 600. | ||
161.35 | 700. | ||
174.30 | 800. | ||
185.59 | 900. | ||
195.45 | 1000. | ||
204.03 | 1100. | ||
211.50 | 1200. | ||
217.99 | 1300. | ||
223.65 | 1400. | ||
228.58 | 1500. | ||
238.39 | 1750. | ||
245.51 | 2000. | ||
250.79 | 2250. | ||
254.78 | 2500. | ||
257.83 | 2750. | ||
260.20 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
75.86 ± 0.38 | 239.15 | Scott R.B., 1945 | GT |
82.89 ± 0.41 | 272.15 | ||
91.67 ± 0.46 | 312.15 | ||
100.25 ± 0.50 | 353.15 |
Condensed phase thermochemistry data
Go To: Top, Gas 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), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 194. | J/mol*K | N/A | Todd and Parks, 1936 | Extrapolation below 90 K, 45.23 J/mol*K. |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
121.3 | 266.26 | Rabinovich and Lebedev, 1971 | T = 90 to 266 K. |
121.42 | 253.1 | Todd and Parks, 1936 | T = 93.3 to 253 K. Value is unsmoothed experimental datum. |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
DH - Eugene S. Domalski and Elizabeth D. Hearing
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 266.7 ± 0.7 | K | AVG | N/A | Average of 25 out of 28 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 132.38 | K | N/A | Rabinovich and Lebedev, 1971 | DH |
Tfus | 132.45 | K | N/A | Kistiakowsky, Ruhoff, et al., 1935 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tfus | 125.4 | K | N/A | Coffin and Maass, 1928 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 132.4 | K | N/A | Todd and Parks, 1936, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 417.9 ± 0.1 | K | N/A | Tsonopoulos and Ambrose, 1996 | |
Tc | 417.88 | K | N/A | Beattie, Ingersoll, et al., 1942 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tc | 420.15 | K | N/A | Coffin and Maass, 1928 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 40.00 ± 0.10 | bar | N/A | Tsonopoulos and Ambrose, 1996 | |
Pc | 40.0031 | bar | N/A | Beattie, Ingersoll, et al., 1942 | Uncertainty assigned by TRC = 0.1013 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.2388 | l/mol | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.19 ± 0.010 | mol/l | N/A | Tsonopoulos and Ambrose, 1996 | |
ρc | 4.17 | mol/l | N/A | Beattie, Ingersoll, et al., 1942 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 20.6 | kJ/mol | N/A | Reid, 1972 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
23.1 | 264. | A | Stephenson and Malanowski, 1987 | Based on data from 212. to 279. K.; AC |
22.7 | 281. | A | Stephenson and Malanowski, 1987 | Based on data from 266. to 313. K.; AC |
22.2 | 325. | A | Stephenson and Malanowski, 1987 | Based on data from 310. to 376. K.; AC |
22.3 | 386. | A | Stephenson and Malanowski, 1987 | Based on data from 371. to 418. K.; AC |
22.2 | 350. | N/A | Beattie, Ingersoll, et al., 1942, 2 | Based on data from 303. to 398. K.; AC |
22.8 | 258. | N/A | Lamb and Roper, 1940 | Based on data from 216. to 273. K. See also Boublik, Fried, et al., 1984.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
216.40 to 273. | 3.64709 | 799.055 | -46.615 | Lamb and Roper, 1940 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.92 | 132.4 | Domalski and Hearing, 1996 | AC |
5.920 | 132.4 | Todd and Parks, 1936 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
44.71 | 132.4 | Todd and Parks, 1936 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar
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
C4H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1644. ± 7.5 | kJ/mol | Endo | Wenthold, Hu, et al., 1999 | gas phase; B |
ΔrH° | 1619. ± 8.4 | kJ/mol | D-EA | Wenthold, Polak, et al., 1996 | gas phase; B |
ΔrH° | 1633. ± 9.6 | kJ/mol | G+TS | Bartmess and Burnham, 1984 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1613. ± 7.9 | kJ/mol | H-TS | Wenthold, Hu, et al., 1999 | gas phase; B |
ΔrG° | 1588. ± 8.8 | kJ/mol | H-TS | Wenthold, Polak, et al., 1996 | gas phase; B |
ΔrG° | 1602. ± 9.2 | kJ/mol | IMRE | Bartmess and Burnham, 1984 | gas phase; B |
By formula: H4N+ + C4H8 = (H4N+ • C4H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 146. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
ΔrH° | 146. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1990 | gas phase; forms t-C4H9NH3+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 155. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
ΔrS° | 164. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1990 | gas phase; forms t-C4H9NH3+; M |
By formula: C4H9Cl = C4H8 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 74. ± 2. | kJ/mol | Eqk | Howlett, 1955 | gas phase; ALS |
ΔrH° | 74.06 | kJ/mol | Eqk | Howlett, 1951 | gas phase; Hf-gas-(390) -44.4 kcal/mol; ALS |
ΔrH° | 72. ± 2. | kJ/mol | Eqk | Kistiakowsky and Stauffer, 1937 | gas phase; ALS |
By formula: C4H8 + C2H6O = C6H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -32.0 | kJ/mol | Cm | Sola, Pericas, et al., 1995 | liquid phase; ALS |
ΔrH° | -32.0 | kJ/mol | Kin | Sola, Pericas, et al., 1995 | liquid phase; ALS |
ΔrH° | -62. ± 2. | kJ/mol | Eqk | Iborra, Izquierdo, et al., 1989 | gas phase; GC; ALS |
By formula: C3H9Si+ + C4H8 = (C3H9Si+ • C4H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 153. | kJ/mol | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 179. | J/mol*K | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -117.8 ± 0.42 | kJ/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1935, 2 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -118.78 ± 0.75 kJ/mol; At 355 °K; ALS |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -81. ± 2. | kJ/mol | Eqk | Benson and Amano, 1962 | gas phase; ALS |
ΔrH° | -80.1 ± 4.2 | kJ/mol | Eqk | Jones and Ogg, 1937 | gas phase; At 408-464 K; ALS |
By formula: C4H8 + C3H8O = C7H16O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -22.9 ± 1.3 | kJ/mol | Eqk | Calderon, Tejero, et al., 1997 | liquid phase; ALS |
ΔrH° | -21.7 ± 1.6 | kJ/mol | Cm | Sola, Pericas, et al., 1997 | liquid phase; ALS |
By formula: Li+ + C4H8 = (Li+ • C4H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 120. | kJ/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
By formula: C4H8 + HCl = C4H9Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -63.1 ± 1.8 | kJ/mol | Cm | Arnett and Pienta, 1980 | liquid phase; solvent: Methylene chloride; Hydrochloronation; ALS |
By formula: C4H8 + H2O = C4H10O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -53.451 | kJ/mol | Eqk | Eberz and Lucas, 1934 | gas phase; solvent: Aqueous; Heat of hydration; ALS |
By formula: Na+ + C4H8 = (Na+ • C4H8)
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
41.8 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
(CAS Reg. No. 38130-30-2 • 4294967295) +
= CAS Reg. No. 38130-30-2
By formula: (CAS Reg. No. 38130-30-2 • 4294967295C4H8) + C4H8 = CAS Reg. No. 38130-30-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 64.9 ± 8.8 | kJ/mol | N/A | DePuy, Gronert, et al., 1989 | gas phase; B |
By formula: (C4H9 • 4294967295C4H8) + C4H8 = C4H9
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 64.0 ± 8.8 | kJ/mol | N/A | DePuy, Gronert, et al., 1989 | gas phase; B |
By formula: C5H12O = C4H8 + CH4O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.8 ± 0.4 | kJ/mol | Cm | Arntz and Gottlieb, 1985 | gas phase; At 319K; ALS |
By formula: C4H8Br2 = C4H8 + Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 139.7 ± 0.46 | kJ/mol | Cm | Sunner and Wulff, 1974 | liquid phase; ALS |
By formula: C4H8 + C4H10O = C8H18O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -37.7 ± 2.4 | kJ/mol | Eqk | Sharonov, Mishentseva, et al., 1991 | liquid phase; ALS |
By formula: C4H8 + C4H10O = C8H18O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -36.3 ± 1.8 | kJ/mol | Eqk | Sharonov, Mishentseva, et al., 1991 | liquid phase; ALS |
By formula: C4H8 + C4H10O = C8H18O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -34.8 ± 2.7 | kJ/mol | Eqk | Sharonov, Mishentseva, et al., 1991 | liquid phase; ALS |
By formula: C6H14O = C4H8 + C2H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.5 ± 1.9 | kJ/mol | Eqk | Sharonov, Rozhnov, et al., 1995 | liquid phase; ALS |
By formula: C4H9Br = C4H8 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 79. ± 4. | kJ/mol | Eqk | Kistiakowsky and Stauffer, 1937 | gas phase; ALS |
By formula: HBr + C4H8 = C4H9Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -78.868 | kJ/mol | Eqk | Howlett, 1957 | gas phase; ALS |
By formula: C4H8 + CH4O = C5H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -33.8 | kJ/mol | Cm | Sol, Perics, et al., 1994 | liquid phase; ALS |
By formula: C4H10O = C4H8 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.7 | kJ/mol | Eqk | Taft and Riesz, 1955 | liquid phase; ALS |
By formula: C7H8O + C4H8 = C11H16O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.7 ± 2.8 | kJ/mol | Eqk | Verevkin, Nesterova, et al., 1984 | gas phase; ALS |
By formula: C10H14O = C6H6O + C4H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71.0 ± 2.1 | kJ/mol | Eqk | Verevkin, 1982 | gas phase; ALS |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.0048 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.0016 | L | N/A | ||
0.0057 | 3000. | L | N/A | |
0.0047 | V | N/A |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
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
View reactions leading to C4H8+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.22 ± 0.02 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 802.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 775.6 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Proton affinity at 298K
Proton affinity (kJ/mol) | Reference | Comment |
---|---|---|
802.3 ± 4.8 | Bouchoux and Salpin, 1999 | T = 300K; Re-evaluated thermokinetic parametric fitting by the authors using reference base GBs and PAs from Hunter and Lias, 1998; MM |
802.3 ± 4.8 | Bouchoux and Salpin, 1999 | T = 298K; MM |
805.0 ± 6.7 | Cleven, Hoke, et al., 1996 | PA > butyronitrile, < benzonitrile; MM |
Gas basicity at 298K
Gas basicity (review) (kJ/mol) | Reference | Comment |
---|---|---|
776.3 ± 2.7 | Bouchoux and Salpin, 1999 | T = 300K; Re-evaluated thermokinetic parametric fitting by the authors using reference base GBs and PAs from Hunter and Lias, 1998; MM |
776.3 ± 2.7 | Bouchoux and Salpin, 1999 | T = 298K; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.19 | PI | Traeger, 1986 | LBLHLM |
9.24 ± 0.05 | EI | Holmes and Lossing, 1983 | LBLHLM |
9.24 ± 0.02 | PE | Bieri, Burger, et al., 1977 | LLK |
9.239 ± 0.003 | PE | Masclet, Grosjean, et al., 1973 | LLK |
9.19 | EI | Lossing, 1972 | LLK |
9.21 | PE | Frost and Sandhu, 1971 | LLK |
9.17 | PE | Dewar and Worley, 1969 | RDSH |
9.23 ± 0.02 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.23 | PI | Bralsford, Harris, et al., 1960 | RDSH |
9.41 | PE | Wiberg, Ellison, et al., 1976 | Vertical value; LLK |
9.39 | PE | Koenig, Balle, et al., 1975 | Vertical value; LLK |
9.45 | PE | Kimura, Katsumata, et al., 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3+ | 16.4 | C3H5 | EI | SenSharma and Franklin, 1973 | LLK |
C2H4+ | 12.0 ± 0.25 | ? | EI | Meisels, Park, et al., 1970 | RDSH |
C3H5+ | 11.33 | CH3 | PI | Traeger, 1984 | LBLHLM |
C3H5+ | 11.8 | CH3 | EI | SenSharma and Franklin, 1973 | LLK |
C3H5+ | 11.45 | CH3 | EI | Lossing, 1972 | LLK |
C4H6+ | 11.3 ± 0.1 | H2 | EI | Holmes, Weese, et al., 1977 | LLK |
C4H7+ | 11.26 | H | PI | Traeger, 1986 | LBLHLM |
C4H7+ | 11.41 | H | EI | Lossing, 1972 | LLK |
De-protonation reactions
C4H7- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1644. ± 7.5 | kJ/mol | Endo | Wenthold, Hu, et al., 1999 | gas phase; B |
ΔrH° | 1619. ± 8.4 | kJ/mol | D-EA | Wenthold, Polak, et al., 1996 | gas phase; B |
ΔrH° | 1633. ± 9.6 | kJ/mol | G+TS | Bartmess and Burnham, 1984 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1613. ± 7.9 | kJ/mol | H-TS | Wenthold, Hu, et al., 1999 | gas phase; B |
ΔrG° | 1588. ± 8.8 | kJ/mol | H-TS | Wenthold, Polak, et al., 1996 | gas phase; B |
ΔrG° | 1602. ± 9.2 | kJ/mol | IMRE | Bartmess and Burnham, 1984 | gas phase; B |
Ion clustering data
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, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: C3H9Si+ + C4H8 = (C3H9Si+ • C4H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 153. | kJ/mol | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 179. | J/mol*K | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
By formula: H4N+ + C4H8 = (H4N+ • C4H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 146. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
ΔrH° | 146. | kJ/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1990 | gas phase; forms t-C4H9NH3+; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 155. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
ΔrS° | 164. | J/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1990 | gas phase; forms t-C4H9NH3+; M |
By formula: Li+ + C4H8 = (Li+ • C4H8)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 120. | kJ/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
By formula: Na+ + C4H8 = (Na+ • C4H8)
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
41.8 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
IR Spectrum
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, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, NIST Subscription Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | 18911 |
UV/Visible spectrum
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, Gas Chromatography, NIST Free Links, NIST Subscription Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
Source | Jones and Taylor, 1955 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 2469 |
Instrument | Beckman DU |
Melting point | -140.4 |
Boiling point | -6.9 |
Vibrational and/or electronic energy levels
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), UV/Visible spectrum, Gas Chromatography, NIST Free Links, NIST Subscription Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: 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 | CH2 s-str | 2989 | D | 2991 M | sln. | 2989 S p | liq. | ||
a1 | 2 | CH3 d-str | 2941 | C | 2940.8 | gas | 2930 W p | liq. | ||
a1 | 3 | CH3 s-str | 2911 | D | 2919 W | gas | 2911 S p | liq. | ||
a1 | 4 | C=C str | 1661 | C | 1661.1 S | gas | 1655 S p | liq. | ||
a1 | 5 | CH3 d-deform | 1470 | C | 1469.6 S | gas | 1462 VW | liq. | ||
a1 | 6 | CH2 scis | 1416 | D | 1419 W | sln. | 1416 S p | liq. | ||
a1 | 7 | CH3 s-deform | 1366 | D | 1366 VW p | liq. | ||||
a1 | 8 | CH3 rock | 1064 | C | 1063.9 S | gas | 1058 W p | liq. | ||
a1 | 9 | C-C str | 801 | C | 801 W | gas | 803 VS p | liq. | ||
a1 | 10 | C=CC2 ip-deform | 383 | D | 384 W | sln. | 383 W | liq. | ||
a2 | 11 | CH3 d-str | 2970 | D | ia | 2970 W p | liq. | OV(ν17) | ||
a2 | 12 | CH3 d-deform | 1459 | D | ia | 1459 VW | liq. | |||
a2 | 13 | CH3 rock | 1076 | E | ia | CF | ||||
a2 | 14 | CH2 twist | 981 | E | ia | CF | ||||
a2 | 15 | CH3 torsion | 193 | E | ia | CF | ||||
b1 | 16 | CH2 a-str | 3086 | C | 3086.0 S | gas | 3079 W dp | liq. | ||
b1 | 17 | CH3 d-str | 2980 | C | 2980.4 | gas | 2970 W dp | liq. | OV(ν11) | |
b1 | 18 | CH3 s-str | 2893 | C | 2892.9 W | gas | 2892 W dp | liq. | ||
b1 | 19 | CH3 d-deform | 1458 | C | 1458.4 S | gas | ||||
b1 | 20 | CH3 s-deform | 1381 | C | 1381.2 S | gas | 1386 W | liq. | ||
b1 | 21 | C-C str | 1282 | C | 1281.9 S | gas | 1281 W | liq. | ||
b1 | 22 | CH3 rock | 1043 | E | CF | |||||
b1 | 23 | CH2 rock | 974 | C | 973.7 W | gas | 972 VW | liq. | ||
b1 | 24 | C=CC2 ip-deform | 430 | D | 430 sh | sln. | ||||
b2 | 25 | CH3 d-str | 2945 | C | 2944.9 S | gas | ||||
b2 | 26 | CH3 d-deform | 1444 | C | 1443.7 S | gas | 1439 VW | liq. | ||
b2 | 27 | CH3 rock | 1079 | C | 1079.0 S | gas | ||||
b2 | 28 | CH2 wag | 890 | C | 889.7 VS | gas | 883 W dp | liq. | ||
b2 | 29 | C=CC2 op-deform | 429 | C | 429.1 S | gas | 431 W dp | liq. | ||
b2 | 30 | CH3 torsion | 196 | C | 196 VW | gas | ||||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
ia | Inactive |
sh | Shoulder |
p | Polarized |
dp | Depolarized |
CF | Calculated frequency |
OV | Overlapped by band indicated in parentheses. |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
E | 15~30 cm-1 uncertainty |
Gas Chromatography
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), UV/Visible spectrum, Vibrational and/or electronic energy levels, NIST Free Links, NIST Subscription Links, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | BPX-5 | 30. | 394. | Aflalaye, Sternberg, et al., 1995 | 12. m/0.15 mm/0.25 μm, H2 |
Capillary | CP Sil 5 CB | 20. | 391. | Do and Raulin, 1992 | 25. m/0.15 mm/2. μm, H2 |
Capillary | PoraPLOT Q | 100. | 389. | Do and Raulin, 1989 | 10. m/0.32 mm/10. μm, H2 |
Capillary | PoraPLOT Q | 160. | 390. | Do and Raulin, 1989 | 10. m/0.32 mm/10. μm, H2 |
Capillary | HP-PONA | 40. | 390. | Lubeck and Sutton, 1984 | 50. m/0.21 mm/0.5 μm, H2 |
Capillary | SE-30 | 60. | 390. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | OV-1 | 20. | 380. | Nijs and Jacobs, 1981 | He; Column length: 150. m; Column diameter: 0.50 mm |
Packed | Squalane | 80. | 383. | Chrétien and Dubois, 1977 | |
Capillary | Squalane | 40. | 383. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
Packed | Squalane | 27. | 383. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 384. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | SE-30 | 70. | 390. | Widmer, 1967 | Diatoport S; Column length: 7.9 m |
Packed | Squalane | 26. | 382. | Zulaïca and Guiochon, 1966 | Column length: 10. m |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 392. | Haagen-Smit Laboratory, 1997 | He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
Capillary | DB-1 | 391. | Hoekman, 1993 | 60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 130. | 438. | Widmer, 1967 | Diatoport P; Column length: 7.9 m |
Packed | Carbowax 20M | 70. | 427. | Widmer, 1967 | Diatoport P; Column length: 7.9 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 384. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 50. | 383. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Packed | Methyl Silicone | 50. | 400. | Huguet, 1961 | Nitrogen, Celite C-22; Column length: 2.5 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 385. | 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 | Petrocol DH | 370. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | OV-101 | 388. | Chupalov and Zenkevich, 1996 | N2, 3. K/min; Column length: 52. m; Column diameter: 0.26 mm; Tstart: 50. C; Tend: 220. C |
Capillary | DB-1 | 386. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 384. | Chen and Feng, 2007 | Program: not specified |
Capillary | Methyl Silicone | 390. | Blunden, Aneja, et al., 2005 | 60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min) |
Capillary | Polydimethyl siloxane | 383. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | Methyl Silicone | 387. | Spieksma, 1999 | Program: not specified |
Capillary | Polydimethyl siloxanes | 388. | Zenkevich, Chupalov, et al., 1996 | Program: not specified |
Packed | Apieson L | 390. | Kojima, Fujii, et al., 1980 | Chromosorb W; Column length: 20. m; Program: not specified |
Packed | SE-30 | 390. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
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), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, 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.
Prosen, Maron, et al., 1951
Prosen, E.J.; Maron, F.W.; Rossini, F.D.,
Heats of combustion, formation, and insomerization of ten C4 hydrocarbons,
J. Res. NBS, 1951, 46, 106-112. [all data]
Guinchant, 1918
Guinchant, M.J.,
Etude sur la fonction acide dans les derives metheniques et methiniques,
Ann. Chem., 1918, 10, 30-84. [all data]
Stull D.R., 1969
Stull D.R., Jr.,
The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]
Todd S.S., 1936
Todd S.S.,
Thermal data on organic compounds. XV. Some heat capacity, entropy and free energy data for the isomeric butenes,
J. Am. Chem. Soc., 1936, 58, 134-137. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Kilpatrick J.E., 1946
Kilpatrick J.E.,
Heat content, free energy function, entropy, and heat capacity of ethylene, propylene, and the four butenes to 1500 K,
J. Res. Nat. Bur. Stand, 1946, 37, 163-171. [all data]
East A.L.L., 1997
East A.L.L.,
Ab initio statistical thermodynamical models for the computation of third-law entropies,
J. Chem. Phys., 1997, 106, 6655-6674. [all data]
Scott R.B., 1945
Scott R.B.,
Specific heats of gaseous 1,3-butadiene, isobutene, styrene, and ethylbenzene,
J. Res. Nat. Bur. Stand., 1945, 34, 243-254. [all data]
Todd and Parks, 1936
Todd, S.S.; Parks, G.S.,
Thermal data on organic compounds. XV. Some heat capacity, entropy and free energy data for the isomeric butenes,
J. Am. Chem. Soc., 1936, 58, 134-137. [all data]
Rabinovich and Lebedev, 1971
Rabinovich, I.B.; Lebedev, B.V.,
On the thermodynamic stability of polyisobutylene. Tr. Khim. Khim. Tekhnol., 1971, 194-196. [all data]
Kistiakowsky, Ruhoff, et al., 1935
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E.,
Heats of Organic Reactions II. Hydrogenation of Some Simpler Olefinic Hydrocarbons,
J. Am. Chem. Soc., 1935, 57, 876-82. [all data]
Coffin and Maass, 1928
Coffin, C.C.; Maass, O.,
The Preparation and Physical Properties of α-,β- and γ-Butylene and Normal and Isobutane,
J. Am. Chem. Soc., 1928, 50, 1427-37. [all data]
Todd and Parks, 1936, 2
Todd, S.S.; Parks, G.S.,
Thermal Data on Organic Compounds XV. Some Heat Capacity, Entropy and Free Energy Data for the Isomeric Butenes,
J. Am. Chem. Soc., 1936, 58, 134. [all data]
Tsonopoulos and Ambrose, 1996
Tsonopoulos, C.; Ambrose, D.,
Vapor-Liquid Critical Properties of Elements and Compounds. 6. Unsaturated Aliphatic Hydrocarbons,
J. Chem. Eng. Data, 1996, 41, 645-656. [all data]
Beattie, Ingersoll, et al., 1942
Beattie, J.A.; Ingersoll, H.G.; Stockmayer, W.H.,
Vapor Pressure and Critical Consants of Isobutene,
J. Am. Chem. Soc., 1942, 64, 546. [all data]
Reid, 1972
Reid, Robert C.,
Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00,
AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Beattie, Ingersoll, et al., 1942, 2
Beattie, James A.; Ingersoll, Henry G.; Stockmayer, Walter H.,
Vapor Pressures and Critical Constants of Isobutene,
J. Am. Chem. Soc., 1942, 64, 3, 546-548, https://doi.org/10.1021/ja01255a021
. [all data]
Lamb and Roper, 1940
Lamb, Arthur B.; Roper, Edwin E.,
The Vapor Pressures of Certain Unsaturated Hydrocarbons,
J. Am. Chem. Soc., 1940, 62, 4, 806-814, https://doi.org/10.1021/ja01861a032
. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Wenthold, Hu, et al., 1999
Wenthold, P.G.; Hu, J.; Squires, R.R.; Lineberger, W.C.,
Photoelectron spectroscopy of the trimethylenemethane negative ion,
J. Am. Soc. Mass Spectrom., 1999, 10, 9, 800-809, https://doi.org/10.1016/S1044-0305(99)00043-4
. [all data]
Wenthold, Polak, et al., 1996
Wenthold, P.G.; Polak, M.L.; Lineberger, W.C.,
Photoelectron Spectroscopy of the Allyl and 2-Methylallyl Anions,
J. Phys. Chem., 1996, 100, 17, 6920, https://doi.org/10.1021/jp953401n
. [all data]
Bartmess and Burnham, 1984
Bartmess, J.E.; Burnham, R.,
Effect of central substituents on the gas phase acidities of propenes,
J. Org. Chem., 1984, 49, 1382. [all data]
Meot-Ner (Mautner) and Sieck, 1991
Meot-Ner (Mautner), M.; Sieck, L.W.,
Proton affinity ladders from variable-temperature equilibrium measurements. 1. A reevaluation of the upper proton affinity range,
J. Am. Chem. Soc., 1991, 113, 12, 4448, https://doi.org/10.1021/ja00012a012
. [all data]
Meot-Ner (Mautner) and Sieck, 1990
Meot-Ner (Mautner), M.; Sieck, L.W.,
Ion Thermochemistry at High Temperatures. 1. Thermochemistry of the Ammonium Ion from Variable - Temperature Equilibrium Measurements. Proton Transfer, Association, and Decomposition Reactions in Ammonia, Isobutene, and t-Butylamine,
J. Phys. Chem., 1990, 94, 19, 7730, https://doi.org/10.1021/j100382a076
. [all data]
Howlett, 1955
Howlett, K.E.,
The use of equilibrium constants to calculate thermodynamic quantities. Part II,
J. Chem. Soc., 1955, 1784-17. [all data]
Howlett, 1951
Howlett, K.E.,
The use of equilibrium constants to calculate thermodynamic quantities. Part I. Equilibria in the system tert.-butyl chloride, isobutene, hydrogen chloride,
J. Chem. Soc., 1951, 1409-1412. [all data]
Kistiakowsky and Stauffer, 1937
Kistiakowsky, G.B.; Stauffer, C.H.,
The kinetics of gaseous addition of halogen acids to isobutene, 1937, 165-170. [all data]
Sola, Pericas, et al., 1995
Sola, L.; Pericas, M.A.; Cunill, F.; Tejero, J.,
Thermodynamic and kinetic studies of the liquid phase synthesis of tert-butyl ethyl ether using a reaction calorimeter,
Ind. Eng. Chem. Res., 1995, 34, 3718-3725. [all data]
Iborra, Izquierdo, et al., 1989
Iborra, M.; Izquierdo, J.F.; Tejero, J.; Cunill, F.,
Equilibrium constant for ethyl tert-butyl ether vapor-phase synthesis,
J. Chem. Eng. Data, 1989, 34, 1-5. [all data]
Li and Stone, 1989
Li, X.; Stone, J.A.,
Determination of the beta silicon effect from a mass spectrometric study of the association of trimethylsilylium ion with alkenes,
J. Am. Chem. Soc., 1989, 111, 15, 5586, https://doi.org/10.1021/ja00197a013
. [all data]
Kistiakowsky, Ruhoff, et al., 1935, 2
Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E.,
Heats of organic reactions. II. Hydrogenation of some simpler olefinic hydrocarbons,
J. Am. Chem. Soc., 1935, 57, 876-882. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Benson and Amano, 1962
Benson, S.W.; Amano, A.,
Thermodynamic properties of tertiary iodides,
J. Chem. Phys., 1962, 37, 197-198. [all data]
Jones and Ogg, 1937
Jones, J.L.; Ogg, R.A., Jr.,
The equilibrium (CH3)3CI = (CH3)2C = CH2 + HI,
J. Am. Chem. Soc., 1937, 59, 1943-1945. [all data]
Calderon, Tejero, et al., 1997
Calderon, A.; Tejero, J.; Izuierdo, J.F.; Iborra, M.; Cunill, F.,
Equilibrium Constants for the liquid-phase synthesis of isopropyl tert-butyl ether from 2-propanol and isobutene,
Ind. Eng. Chem. Res., 1997, 36, 896-902. [all data]
Sola, Pericas, et al., 1997
Sola, L.; Pericas, M.A.; Cunill, F.; Izquierdo, J.F.,
A comparative thermodynamic and kinetic study of the reaction between olefins and light alcohols leading to branced ethers. Reaction calorimetry study of the formation of tert-amyl methyl ether (TAME) and tert-butyl isopropyl ether (IPTBE),
Ind. Eng. Chem. Res., 1997, 36, 2012-2018. [all data]
Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L.,
Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases,
J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050
. [all data]
Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
. [all data]
Arnett and Pienta, 1980
Arnett, E.M.; Pienta, N.J.,
Stabilities of carbonium ions in solution. 12. Heats of formation of alkyl chlorides as an entree to heats of solvation of aliphatic carbonium ions,
J. Am. Chem. Soc., 1980, 102, 3329-3334. [all data]
Eberz and Lucas, 1934
Eberz, W.F.; Lucas, H.J.,
The hydration of unsaturated compounds. II. The equilibrium between i-butene and t-butanol and the free energy of hydration of i-butene,
J. Am. Chem. Soc., 1934, 56, 1230-1234. [all data]
McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G.,
An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions,
Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7
. [all data]
DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R.,
The Gas Phase Acidities of the Alkanes,
J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003
. [all data]
Arntz and Gottlieb, 1985
Arntz, H.; Gottlieb, K.,
High-pressure heat-flow calorimeter determination of the enthalpy of reaction for the synthesis of methyl t-butyl ether from methanol and 2-methylpropene,
J. Chem. Thermodyn., 1985, 17, 967-972. [all data]
Sunner and Wulff, 1974
Sunner, S.; Wulff, C.A.,
The enthalpy of formation of 1,1-dibromo-2-methylpropane,
J. Chem. Thermodyn., 1974, 6, 287-292. [all data]
Sharonov, Mishentseva, et al., 1991
Sharonov, K.G.; Mishentseva, Y.B.; Rozhnov, A.M.; Miroshnichenko, E.A.; Korchatova, L.I.,
Molar enthalpies of formation and vaporizqation of t-butoxybutanes and thermodynamics of their synthesis from a butanol and 2-methylpropene I. Equilibria of synthesis reactions of t-butoxybutanes in the liquid phase,
J. Chem. Thermodyn., 1991, 23, 141-145. [all data]
Sharonov, Rozhnov, et al., 1995
Sharonov, K.G.; Rozhnov, A.M.; Korol'kov, A.V.; Karaseva, S.Y.,
Enthalpies of formation of 2-methyl-2-ethoxypropane and 2-ethyl-2-ethoxypropane from equilibrium measurements,
J. Chem. Thermodyn., 1995, 27, 751-753. [all data]
Howlett, 1957
Howlett, K.E.,
The use of equilibrium constants to calculate thermodynamic quantities. Part III. Equilibria in the system tert.-butyl bromideisobutene-hydrogen bromide,
J. Chem. Soc., 1957, 2834-2836. [all data]
Sol, Perics, et al., 1994
Sol, L.; Perics, M.A.; Cunill, F.; Iborra, M.,
Reaction calorimetry study of the liquid-phase synthesis of tert-butyl methyl ether,
Ind. Eng. Chem. Res., 1994, 33, 2578-2583. [all data]
Taft and Riesz, 1955
Taft, R.W., Jr.; Riesz, P.,
Thermodynamic properties for the system isobutene-t-butyl alcohol,
J. Am. Chem. Soc., 1955, 77, 902-904. [all data]
Verevkin, Nesterova, et al., 1984
Verevkin, S.P.; Nesterova, T.N.; Rozhnov, A.M.,
The equilibrium in the dealkylation of o-t-butyl-p-cresol,
Russ. J. Phys. Chem. (Engl. Transl.), 1984, 58, 284. [all data]
Verevkin, 1982
Verevkin, S.P.,
Study of equilibrium of tert-butylphenol dealkylation in the gas phase,
Termodin. Organ. Soedin., 1982, 67-70. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Bouchoux and Salpin, 1999
Bouchoux, J.; Salpin, J.Y.,
Re-evaluated gas-phase basicity and proton affinity data from the thermokinetic method,
Rapid Com. Mass Spectrom., 1999, 13, 932. [all data]
Cleven, Hoke, et al., 1996
Cleven, C.D.; Hoke, S.H.; Cooks, R.G.; Hrovat, D.A.; Smith, J.M.; Lee, M.S.; Borden, W.T.,
Effect of Olefin Pyramidalization on the Proton Affinity of Tricyclo[3.3.3.03,7]undec-3(7)-ene as Determined by ab Initio Calculations and Kinetic Method Measurements,
J. Am. Chem. Soc., 1996, 118, 10872. [all data]
Traeger, 1986
Traeger, J.C.,
Heat of formation for the 1-methylallyl cation by photoionization mass spectrometry,
J. Phys. Chem., 1986, 90, 4114. [all data]
Holmes and Lossing, 1983
Holmes, J.L.; Lossing, F.P.,
The need for adequate thermochemical data for the interpretation of fragmentation mechanisms and ion structure assignments,
Int. J. Mass Spectrom. Ion Phys., 1983, 47, 133. [all data]
Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P.,
Valence ionization enrgies of hydrocarbons,
Helv. Chim. Acta, 1977, 60, 2213. [all data]
Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G.,
Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects,
J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]
Lossing, 1972
Lossing, F.P.,
Free radicals by mass spectrometry. XLV. Ionization potentials and heats of formation of C3H3, C3H5, and C4H7 radicals and ions,
Can. J. Chem., 1972, 50, 3973. [all data]
Frost and Sandhu, 1971
Frost, D.C.; Sandhu, J.S.,
Ionization potentials of ethylene and some methyl-substituted ethylenes as determined by photoelectron spectroscopy,
Indian J. Chem., 1971, 9, 1105. [all data]
Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D.,
Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation,
J. Chem. Phys., 1969, 50, 654. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C.,
The effect of fluorine on the electronic spectra and ionization potentials of molecules,
Proc. Roy. Soc. (London), 1960, A258, 459. [all data]
Wiberg, Ellison, et al., 1976
Wiberg, K.B.; Ellison, G.B.; Wendoloski, J.J.; Brundle, C.R.; Kuebler, N.A.,
Electronic states of organic molecules. 3. Photoelectron spectra of cycloalkenes and methylenecycloalkanes,
J. Am. Chem. Soc., 1976, 98, 7179. [all data]
Koenig, Balle, et al., 1975
Koenig, T.; Balle, T.; Snell, W.,
Helium(I) photoelectron spectra of organic radicals,
J. Am. Chem. Soc., 1975, 97, 662. [all data]
Kimura, Katsumata, et al., 1975
Kimura, K.; Katsumata, S.; Yamazaki, T.; Wakabayashi, H.,
UV photoelectron spectra and sum rule consideration; out-of-plane orbitals of unsaturated compounds with planar-skeleton structure,
J. Electron Spectrosc. Relat. Phenom., 1975, 6, 41. [all data]
SenSharma and Franklin, 1973
SenSharma, D.K.; Franklin, J.L.,
Heat of formation of free radicals by mass spectrometry,
J. Am. Chem. Soc., 1973, 95, 6562. [all data]
Meisels, Park, et al., 1970
Meisels, G.G.; Park, J.Y.; Giessner, B.G.,
Ionization and dissociation of C4H8 isomers,
J. Am. Chem. Soc., 1970, 92, 254. [all data]
Traeger, 1984
Traeger, J.C.,
A study of the allyl cation thermochemistry by photoionization mass spectrometry,
Int. J. Mass Spectrom. Ion Processes, 1984, 58, 259. [all data]
Holmes, Weese, et al., 1977
Holmes, J.L.; Weese, G.M.; Blair, A.S.; Terlouw, J.K.,
Metastable ion studies IX-Thermochemistry and ion structures among fragmenting [C4H8]+ ions, an electron impact and field ionization investigation,
Org. Mass Spectrom., 1977, 12, 424. [all data]
Jones and Taylor, 1955
Jones, L.C., Jr.; Taylor, L.W.,
Far ultraviolet absorption spectra of unsaturated and aromatic hydrocarbons,
Anal. Chem., 1955, 27, 2, 228-237. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Aflalaye, Sternberg, et al., 1995
Aflalaye, A.; Sternberg, R.; Raulin, F.; Vidal-Madjar, C.,
Gas chromatography of Titan's atmosphere. VI. Analysis of low-molecular-mass hydrocarbons and nitriles with BPX5 capillary columns,
J. Chromatogr. A, 1995, 708, 2, 283-291, https://doi.org/10.1016/0021-9673(95)00410-O
. [all data]
Do and Raulin, 1992
Do, L.; Raulin, F.,
Gas chromatography of Titan's atmosphere. III. Analysis of low-molecular-weight hydrocarbons and nitriles with a CP-Sil-5 CB WCOT capillary column,
J. Chromatogr., 1992, 591, 1-2, 297-301, https://doi.org/10.1016/0021-9673(92)80247-R
. [all data]
Do and Raulin, 1989
Do, L.; Raulin, F.,
Gas chromatography of Titan's atmosphere. I. Analysis of low-molecular-weight hydrocarbons and nitriles with a PoraPLOT Q porous polymer coated open-tubular capillary column,
J. Chromatogr., 1989, 481, 45-54, https://doi.org/10.1016/S0021-9673(01)96751-2
. [all data]
Lubeck and Sutton, 1984
Lubeck, A.J.; Sutton, D.L.,
Kovats Retention Indices of Selected Olefins on Bonded Phase Fused Silica Capillaries,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1984, 7, 9, 542-544, https://doi.org/10.1002/jhrc.1240070913
. [all data]
Bredael, 1982
Bredael, P.,
Retention indices of hydrocarbons on SE-30,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1982, 5, 6, 325-328, https://doi.org/10.1002/jhrc.1240050610
. [all data]
Nijs and Jacobs, 1981
Nijs, H.H.; Jacobs, P.A.,
On-Line Single Run Analysis of Effluents from a Fischer-Tropsch Reactor,
J. Chromatogr. Sci., 1981, 19, 1, 40-45, https://doi.org/10.1093/chromsci/19.1.40
. [all data]
Chrétien and Dubois, 1977
Chrétien, J.R.; Dubois, J.E.,
Topological analysis of gas-liquid chromatographic behavior of alkenes,
Anal. Chem., 1977, 49, 6, 747-756, https://doi.org/10.1021/ac50014a021
. [all data]
Matukuma, 1969
Matukuma, A.,
Retention indices of alkanes through C10 and alkenes through C8 and relation between boiling points and retention data,
Gas Chromatogr., Int. Symp. Anal. Instrum. Div Instrum Soc. Amer., 1969, 7, 55-75. [all data]
Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E.,
Variation of the retention index with temperature on squalane substrates,
J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203
. [all data]
Widmer, 1967
Widmer, H.,
Gas chromatographic identification of hydrocarbons using retention indices,
J. Gas Chromatogr., 1967, 5, 10, 506-510, https://doi.org/10.1093/chromsci/5.10.506
. [all data]
Zulaïca and Guiochon, 1966
Zulaïca, J.; Guiochon, G.,
Analyse des hauts polymères par chromatographie en phase gazeuse de leurs produits de pyrolyse. II. Application à quelques hydrocarbures macromoléculaires purs,
Bull. Soc. Chim. Fr., 1966, 4, 1351-1363. [all data]
Haagen-Smit Laboratory, 1997
Haagen-Smit Laboratory,
Procedure for the detailed hydrocarbon analysis of gasolines by single column high efficiency (capillary) column gas chromatography, SOP NO. MLD 118, Revision No. 1.1, California Environmental Protection Agency, Air Resources Board, El Monte, California, 1997, 22. [all data]
Hoekman, 1993
Hoekman, S.K.,
Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions,
J. Chromatogr., 1993, 639, 2, 239-253, https://doi.org/10.1016/0021-9673(93)80260-F
. [all data]
White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S.,
Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane,
J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211
. [all data]
Huguet, 1961
Huguet, M.,
Kovats retention indices in the qualitative analysis of light hydrocarbons by gas chromatography, Journees internationales d'etude des methodes de separation immediate et de chromatographie, 1961, 69. [all data]
Bramston-Cook, 2013
Bramston-Cook, R.,
Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]
Chupalov and Zenkevich, 1996
Chupalov, A.A.; Zenkevich, I.G.,
Chromatographic Characterization of Structural Transformations of Organic Compounds in Diels-Alder Reaction. Aliphatic Dienes and Dienophyls,
Zh. Org. Khim., 1996, 32, 6, 675-684. [all data]
Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A.,
Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation,
J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205
. [all data]
Chen and Feng, 2007
Chen, Y.; Feng, C.,
QSPR study on gas chromatography retention index of some organic pollutants,
Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [all data]
Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A.,
Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina,
Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053
. [all data]
Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F.,
Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies,
Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]
Spieksma, 1999
Spieksma, W.,
Determination of vapor liquid equilibrium from the Kovats retention index on dimethylsilicone using the Wilson mixing tool,
J. Hi. Res. Chromatogr., 1999, 22, 10, 565-588, https://doi.org/10.1002/(SICI)1521-4168(19991001)22:10<565::AID-JHRC565>3.0.CO;2-2
. [all data]
Zenkevich, Chupalov, et al., 1996
Zenkevich, I.G.; Chupalov, A.A.; Herzschuh, R.,
Correlation of the Increments of Gas Chromatographic Retention Indices with the Differences of Innermolecular Energies of Reagents and Products of Chemical Reactions,
Zh. Org. Khim. (Rus.), 1996, 32, 11, 1685-1691. [all data]
Kojima, Fujii, et al., 1980
Kojima, T.; Fujii, T.; Hosaka, Y.,
Thermal decomposition products of sterepisomeric polypropylenes,
Mass Spectrometry, 1980, 28, 4, 335-341. [all data]
Robinson and Odell, 1971
Robinson, P.G.; Odell, A.L.,
A system of standard retention indices and its uses. The characterisation of stationary phases and the prediction of retention indices,
J. Chromatogr., 1971, 57, 1-10, https://doi.org/10.1016/0021-9673(71)80001-8
. [all data]
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), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, 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 S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.