Propanenitrile
- Formula: C3H5N
- Molecular weight: 55.0785
- IUPAC Standard InChIKey: FVSKHRXBFJPNKK-UHFFFAOYSA-N
- CAS Registry Number: 107-12-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Propionitrile; Cyanoethane; Ether cyanatus; Ethyl cyanide; Hydrocyanic ether; Propionic nitrile; Propiononitrile; Propylnitrile; C2H5CN; Ethylkyanid; Propannitril; Rcra waste number P101; UN 2404; n-Propanenitrile; NSC 7966
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 51.46 | kJ/mol | Ccr | Hall and Baldt, 1971 |
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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 370. ± 1. | K | AVG | N/A | Average of 31 out of 35 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 180. ± 7. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 180.37 | K | N/A | Weber and Kilpatrick, 1962 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 561.3 | K | N/A | Castillo-Lopez and Trejo Rodriguez, 1987 | Uncertainty assigned by TRC = 0.2 K; Visual, TE with digital voltmeter calibr. by meas. on alkanes.; TRC |
Tc | 558.7 | K | N/A | Guye and Mallet, 1902 | Uncertainty assigned by TRC = 2. K; TRC |
Tc | 558.85 | K | N/A | Guye and Mallet, 1902, 2 | Uncertainty assigned by TRC = 1. K; TRC |
Tc | 558.85 | K | N/A | Guye and Mallet, 1902, 2 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 42.60 | bar | N/A | Castillo-Lopez and Trejo Rodriguez, 1987 | Uncertainty assigned by TRC = 0.10 bar; Visual; TRC |
Pc | 41.80 | bar | N/A | Guye and Mallet, 1902 | Uncertainty assigned by TRC = 0.9119 bar; TRC |
Pc | 41.7459 | bar | N/A | Guye and Mallet, 1902, 2 | Uncertainty assigned by TRC = 0.8106 bar; TRC |
Pc | 41.9485 | bar | N/A | Guye and Mallet, 1902, 2 | Uncertainty assigned by TRC = 0.8106 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 36.3 ± 0.8 | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
36.116 | 298.15 | N/A | Weber and Kilpatrick, 1962, 2 | P = 6.29 kPa; DH |
31.81 | 371. | N/A | Majer and Svoboda, 1985 | |
36.1 | 303. | A | Stephenson and Malanowski, 1987 | Based on data from 288. to 371. K.; AC |
36.7 | 326. | BG | Baldt and Hall, 1971 | Based on data from 308. to 363. K.; AC |
36.5 | 280. | N/A | Milazzo, 1956 | Based on data from 189. to 295. K. See also Boublik, Fried, et al., 1984.; AC |
35.9 | 323. | N/A | Dreisbach and Shrader, 1949 | Based on data from 308. to 370. K. See also Dreisbach and Martin, 1949 and Boublik, Fried, et al., 1984.; AC |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
121.1 | 298.15 | Weber and Kilpatrick, 1962, 2 | P; 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 |
---|---|---|---|---|---|
308.7 to 370.50 | 3.61732 | 1036.424 | -83.76 | Dreisbach and Shrader, 1949 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.03 | 180.4 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.67 | 177.0 | Domalski and Hearing, 1996 | CAL |
27.91 | 180.4 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.7067 | 176.96 | crystaline, II | crystaline, I | Weber and Kilpatrick, 1962, 2 | DH |
5.0300 | 180.37 | crystaline, I | liquid | Weber and Kilpatrick, 1962, 2 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
9.64 | 176.96 | crystaline, II | crystaline, I | Weber and Kilpatrick, 1962, 2 | DH |
27.89 | 180.37 | crystaline, I | liquid | Weber and Kilpatrick, 1962, 2 | 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
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C3H4N- + =
By formula: C3H4N- + H+ = C3H5N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1569. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1537. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
C3H4N- + =
By formula: C3H4N- + H+ = C3H5N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1640. ± 21. | kJ/mol | G+TS | Merrill, Dahlke, et al., 1996 | gas phase; comparable to H2O.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1607. ± 21. | kJ/mol | IMRB | Merrill, Dahlke, et al., 1996 | gas phase; comparable to H2O.; B |
By formula: Na+ + C3H5N = (Na+ • C3H5N)
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
103. | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: C3H5N = C3H5N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -90.0 ± 4.2 | kJ/mol | Cm | Baghal-Vayjooee, Collister, et al., 1977 | gas phase; Heat of isomerization; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C3H5N+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 11.85 ± 0.02 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 794.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 763.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Reference | Comment |
---|---|---|
0.015092 ± 0.000087 | Hammer, Diri, et al., 2003 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.5 ± 0.25 | EI | Chess, Lapp, et al., 1982 | LBLHLM |
11.90 | PE | Kimura, Katsumata, et al., 1981 | LLK |
11.85 ± 0.01 | PE | Staley, Kleckner, et al., 1976 | LLK |
11.85 | PE | Lake and Thompson, 1970 | RDSH |
11.84 ± 0.02 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH2N+ | 14.88 | ? | EI | Heerma, deRidder, et al., 1969 | RDSH |
C2H2+ | 14.70 | ? | EI | Heerma, deRidder, et al., 1969 | RDSH |
C2H3+ | 15.40 | ? | EI | Heerma, deRidder, et al., 1969 | RDSH |
C2H4+ | 12.40 ± 0.05 | HCN | EI | Franklin, Wada, et al., 1966 | RDSH |
C3H4N+ | 13.00 | H | EI | Heerma, deRidder, et al., 1969 | RDSH |
C3H4N+ | 12.55 ± 0.05 | H | EI | Franklin, Wada, et al., 1966 | RDSH |
De-protonation reactions
C3H4N- + =
By formula: C3H4N- + H+ = C3H5N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1569. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1537. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
C3H4N- + =
By formula: C3H4N- + H+ = C3H5N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1640. ± 21. | kJ/mol | G+TS | Merrill, Dahlke, et al., 1996 | gas phase; comparable to H2O.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1607. ± 21. | kJ/mol | IMRB | Merrill, Dahlke, et al., 1996 | gas phase; comparable to H2O.; B |
IR Spectrum
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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
Gas Phase Spectrum
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Additional Data
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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)
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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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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. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW- 774 |
NIST MS number | 227644 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: Cs Symmetry Number σ = 1
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a' | 1 | CH3 d-str | 3001 | C | 3001 VS | liq. | 2999 S | liq. | OV(ν14) | |
a' | 2 | CH2 s-str | 2955 | C | 2955 VS | liq. | 2949 VS p | liq. | ||
a' | 3 | CH3 s-str | 2900 | C | 2900 S | liq. | 2898 S p | liq. | ||
a' | 4 | CN str | 2254 | C | 2254 VS | liq. | 2251 VS p | liq. | ||
a' | 5 | CH3 d-deform | 1465 | C | 1465 S | liq. | 1466 VS p | liq. | SF(ν16) | |
a' | 6 | CH2 scis | 1433 | C | 1433 S | liq. | 1436 M p | liq. | ||
a' | 7 | CH3 s-deform | 1387 | C | 1387 M | liq. | 1374 VW p | liq. | ||
a' | 8 | CH2 wag | 1319 | C | 1319 M | liq. | 1322 W p | liq. | ||
a' | 9 | C-CN str | 1077 | C | 1077 S | liq. | 1078 M p | liq. | ||
a' | 10 | CC str | 1005 | C | 1005 M | liq. | 1010 S p | liq. | ||
a' | 11 | CH3 rock | 836 | C | 836 W | liq. | 838 S p | liq. | ||
a' | 12 | CCC deform | 545 | C | 545 M | liq. | 548 M p | liq. | ||
a' | 13 | CCN bend | 226 | C | 226 M | liq. | 226 M p | liq. | ||
a | 14 | CH3 d-str | 3001 | C | 3001 VS | liq. | 2999 S | liq. | OV(ν1) | |
a | 15 | CH2 a-str | 2849 | C | 2849 S | liq. | 2850 M | liq. | ||
a | 16 | CH3 d-deform | 1465 | C | 1465 S | liq. | 1466 VS dp | liq. | SF(ν5) | |
a | 17 | CH2 twist | 1256 | C | 1256 VW | liq. | 1270 VW dp | liq. | ||
a | 18 | CH3 rock | 1022 | E | CF | |||||
a | 19 | CH2 rock | 786 | C | 786 M | liq. | 784 VW dp | liq. | ||
a | 20 | CCN bend | 378 | C | 378 M | liq. | 378 M dp | liq. | ||
a | 21 | Torsion | 222 | C | MW | |||||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
p | Polarized |
dp | Depolarized |
CF | Calculated frequency |
SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses. |
OV | Overlapped by band indicated in parentheses. |
MW | Torsional Frequency calculated from microwave spectroscopic data. |
C | 3~6 cm-1 uncertainty |
E | 15~30 cm-1 uncertainty |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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 | HP-1 | 100. | 543.33 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 110. | 543.83 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 120. | 544.44 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 130. | 545.05 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 140. | 545.79 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 150. | 546.65 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 160. | 547.65 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 170. | 548.60 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 180. | 549.63 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 190. | 550.75 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 20. | 543.13 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 30. | 542.69 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 40. | 542.41 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 50. | 542.29 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 60. | 542.32 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 70. | 542.38 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 80. | 542.60 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | HP-1 | 90. | 542.90 | Görgényi and Héberger, 2003 | N2; Column length: 30. m; Phase thickness: 3. μm |
Capillary | BPX-5 | 30. | 592. | Aflalaye, Sternberg, et al., 1995 | 12. m/0.15 mm/0.25 μm, H2 |
Capillary | CP Sil 5 CB | 20. | 545.3 | Do and Raulin, 1992 | 25. m/0.15 mm/2. μm, H2 |
Capillary | PoraPLOT Q | 100. | 523. | Do and Raulin, 1989 | 10. m/0.32 mm/10. μm, H2 |
Capillary | PoraPLOT Q | 160. | 527. | Do and Raulin, 1989 | 10. m/0.32 mm/10. μm, H2 |
Packed | SE-30 | 100. | 547. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Packed | Apiezon L | 150. | 533. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | Apiezon L | 130. | 524. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Packed | Apiezon L | 70. | 510. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 573.7 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Polydimethyl siloxane | 105. | 554. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 75. | 554. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 90. | 555. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | OV-101 | 32. | 557. | Blazso, Ujszaszi, et al., 1980 | Column length: 20. m; Column diameter: 0.23 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 544. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 524. | N/A | Program: not specified |
Capillary | SPB-1 | 539. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | Polydimethyl siloxanes | 542. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | SPB-1 | 539. | 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 | 580. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | OV-1 | 580. | Ramsey and Flanagan, 1982 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1023. | Umano, Hagi, et al., 1995 | He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax 10 | 1046. | 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 | Carbowax 20M | 1015. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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.
Hall and Baldt, 1971
Hall, H.K., Jr.; Baldt, J.H.,
Thermochemistry of strained-ring bridgehead nitriles and esters,
J. Am. Chem. Soc., 1971, 93, 140-145. [all data]
Weber and Kilpatrick, 1962
Weber, L.A.; Kilpatrick, J.E.,
Entropy and related thermodynamic properties of propionitrile,
J. Chem. Phys., 1962, 36, 829. [all data]
Castillo-Lopez and Trejo Rodriguez, 1987
Castillo-Lopez, N.; Trejo Rodriguez, A.,
The critical temperatures and pressures of several n-alkanenitriles,
J. Chem. Thermodyn., 1987, 19, 671. [all data]
Guye and Mallet, 1902
Guye, P.A.; Mallet, E.,
Critical Constant and Molecular Complexity of Several Organic Compds.,
C. R. Hebd. Seances Acad. Sci., 1902, 133, 168. [all data]
Guye and Mallet, 1902, 2
Guye, P.A.; Mallet, E.,
Measurement of Critical Constants,
Arch. Sci. Phys. Nat., 1902, 13, 274-296. [all data]
Weber and Kilpatrick, 1962, 2
Weber, L.A.; Kilpatrick, J.E.,
Entropy and related thermodynamic properties of propionitrile,
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Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy Pc Critical pressure T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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 ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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