Propylamine
- Formula: C3H9N
- Molecular weight: 59.1103
- IUPAC Standard InChIKey: WGYKZJWCGVVSQN-UHFFFAOYSA-N
- CAS Registry Number: 107-10-8
- 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: 1-Propanamine; n-Propylamine; Mono-n-propylamine; Monopropylamine; Propanamine; 1-Aminopropane; 1-Propylamine; n-C3H7NH2; Rcra waste number U194; UN 1277; NSC 7490
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -16.7 ± 0.2 | kcal/mol | Cm | Scott, 1971 | ALS |
ΔfH°gas | -16.77 ± 0.13 | kcal/mol | Ccr | Smith and Good, 1967 | ALS |
ΔfH°gas | -25.50 | kcal/mol | N/A | Lemoult, 1907 | Value computed using ΔfHliquid° value of -138.0 kj/mol from Lemoult, 1907 and ΔvapH° value of 31.3 kj/mol from Smith and Good, 1967.; DRB |
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), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -24.26 ± 0.09 | kcal/mol | Ccr | Smith and Good, 1967 | ALS |
ΔfH°liquid | -33.1 | kcal/mol | Ccb | Lemoult, 1907 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -565.3 ± 0.7 | kcal/mol | Ccr | Smith and Good, 1967 | ALS |
ΔcH°liquid | -560.3 | kcal/mol | Ccb | Lemoult, 1907 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 54.359 | cal/mol*K | N/A | Finke, Messerly, et al., 1972 | DH |
S°liquid | 54.54 | cal/mol*K | N/A | Vasil'ev, Petrov, et al., 1971 | Extrapolation below 60 K, 26.7 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
38.841 | 298.15 | Finke, Messerly, et al., 1972 | T = 12 to 350 K.; DH |
38.2 | 298.15 | Konicek and Wadso, 1971 | DH |
39.77 | 298.15 | Vasil'ev, Petrov, et al., 1971 | T = 60 to 300 K. Details deposited VINITI, No. 2530-71, 30 Jan 1971.; DH |
38.79 | 298.15 | Smith and Good, 1967 | DH |
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), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 322. ± 2. | K | AVG | N/A | Average of 18 out of 20 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 190.15 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 188.38 | K | N/A | Finke, Messerly, et al., 1972, 2 | Uncertainty assigned by TRC = 0.007 K; TRC |
Ttriple | 188.36 | K | N/A | Vasil'ev, Petrov, et al., 1971 | Uncertainty assigned by TRC = 0.07 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 497. | K | N/A | Majer and Svoboda, 1985 | |
Tc | 496.95 | K | N/A | Glaser and Ruland, 1957 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tc | 496.95 | K | N/A | Berthoud, 1917 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 46.7600 | atm | N/A | Glaser and Ruland, 1957 | Uncertainty assigned by TRC = 0.99995 atm; TRC |
Pc | 46.7600 | atm | N/A | Berthoud, 1917 | Uncertainty assigned by TRC = 0.4000 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.512 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 7.48 | kcal/mol | N/A | Majer, Svoboda, et al., 1979 | AC |
ΔvapH° | 7.49 ± 0.05 | kcal/mol | V | Smith and Good, 1967 | ALS |
ΔvapH° | 7.48 | kcal/mol | N/A | Smith and Good, 1967 | DRB |
ΔvapH° | 6.98 | kcal/mol | C | Glaser and Ruland, 1957 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.063 | 320.4 | N/A | Majer and Svoboda, 1985 | |
7.48 | 311. | A,EB,IP | Stephenson and Malanowski, 1987 | Based on data from 296. to 350. K. See also Osborn and Douslin, 1968 and Dykyj, 1970.; AC |
7.19 | 313. | N/A | Majer, Svoboda, et al., 1979 | AC |
6.91 | 328. | N/A | Majer, Svoboda, et al., 1979 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 328. | 12.65 | 0.3472 | 497. | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
296.12 to 350.74 | 4.04565 | 1044.028 | -62.314 | Osborn and Douslin, 1968 | |
321.7 to 487.7 | 4.33704 | 1227.09 | -38.78 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.62290 | 188.36 | Finke, Messerly, et al., 1972 | DH |
2.622 | 188.4 | Acree, 1991 | AC |
2.5394 | 188.36 | Vasil'ev, Petrov, et al., 1971 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.92 | 188.36 | Finke, Messerly, et al., 1972 | DH |
13.5 | 188.36 | Vasil'ev, Petrov, et al., 1971 | 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), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
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
(C3H10N+ • 4) +
= (C3H10N+ • 5
)
By formula: (C3H10N+ • 4C3H9N) + C3H9N = (C3H10N+ • 5C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.4 | 174. | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated; M |
(C3H10N+ • 2) +
= (C3H10N+ • 3
)
By formula: (C3H10N+ • 2C3H9N) + C3H9N = (C3H10N+ • 3C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 17.1 | kcal/mol | HPMS | Zielinska and Wincel, 1974 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 42.3 | cal/mol*K | HPMS | Zielinska and Wincel, 1974 | gas phase; Entropy change is questionable; M |
(C3H10N+ • ) +
= (C3H10N+ • 2
)
By formula: (C3H10N+ • C3H9N) + C3H9N = (C3H10N+ • 2C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 19.5 | kcal/mol | HPMS | Zielinska and Wincel, 1974 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 41.6 | cal/mol*K | HPMS | Zielinska and Wincel, 1974 | gas phase; Entropy change is questionable; M |
C3H8N- + =
By formula: C3H8N- + H+ = C3H9N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 398.4 ± 3.1 | kcal/mol | G+TS | Brauman and Blair, 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 391.0 ± 3.0 | kcal/mol | IMRB | Brauman and Blair, 1971 | gas phase; B |
(C3H10N+ • 3) +
= (C3H10N+ • 4
)
By formula: (C3H10N+ • 3C3H9N) + C3H9N = (C3H10N+ • 4C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
By formula: K+ + C3H9N = (K+ • C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.8 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.5 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: C3H10N+ + C3H9N = (C3H10N+ • C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
By formula: Na+ + C3H9N = (Na+ • C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.9 ± 1.4 | kcal/mol | CIDT | Moision and Armentrout, 2002 | RCD |
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), 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: 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 |
---|---|---|---|
66. | M | N/A | |
80. | M | 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), 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
Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 219.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 211.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
216.9 | Wang, Chu, et al., 1999 | KM results obtained from CID of complexes with other primary amines at E(cm) = 0 eV, extrapolated from CID at E(cm) = 0.8, 1.5, 2.0 eV; MM |
216.8 | Wang, Chu, et al., 1999 | KM results obtained from CID of complexes with other primary amines using Fenselau/Wesdemiotis correction; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.5 ± 0.1 | PE | Aue, Webb, et al., 1976 | LLK |
8.78 ± 0.02 | PI | Watanabe and Mottl, 1957 | RDSH |
9.4 ± 0.3 | PE | Peel and Willett, 1977 | Vertical value; LLK |
9.44 | PE | Katsumata, Iwai, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH4N+ | 9.56 | C2H5 | EI | Lossing, Lam, et al., 1981 | LLK |
CH4N+ | 9.54 | C2H5 | PI | Chupka, 1959 | RDSH |
C2H6N+ | 10.2 ± 0.3 | CH3 | EI | Solka and Russell, 1974 | LLK |
De-protonation reactions
C3H8N- + =
By formula: C3H8N- + H+ = C3H9N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 398.4 ± 3.1 | kcal/mol | G+TS | Brauman and Blair, 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 391.0 ± 3.0 | kcal/mol | IMRB | Brauman and Blair, 1971 | 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), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
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: C3H10N+ + C3H9N = (C3H10N+ • C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
(C3H10N+ • ) +
= (C3H10N+ • 2
)
By formula: (C3H10N+ • C3H9N) + C3H9N = (C3H10N+ • 2C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 19.5 | kcal/mol | HPMS | Zielinska and Wincel, 1974 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 41.6 | cal/mol*K | HPMS | Zielinska and Wincel, 1974 | gas phase; Entropy change is questionable; M |
(C3H10N+ • 2) +
= (C3H10N+ • 3
)
By formula: (C3H10N+ • 2C3H9N) + C3H9N = (C3H10N+ • 3C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.0 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrH° | 17.1 | kcal/mol | HPMS | Zielinska and Wincel, 1974 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
ΔrS° | 42.3 | cal/mol*K | HPMS | Zielinska and Wincel, 1974 | gas phase; Entropy change is questionable; M |
(C3H10N+ • 3) +
= (C3H10N+ • 4
)
By formula: (C3H10N+ • 3C3H9N) + C3H9N = (C3H10N+ • 4C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.7 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; M |
(C3H10N+ • 4) +
= (C3H10N+ • 5
)
By formula: (C3H10N+ • 4C3H9N) + C3H9N = (C3H10N+ • 5C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7. | kcal/mol | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.4 | 174. | PHPMS | Meot-Ner (Mautner), 1992 | gas phase; Entropy change calculated or estimated; M |
By formula: K+ + C3H9N = (K+ • C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.8 | kcal/mol | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.5 | cal/mol*K | HPMS | Davidson and Kebarle, 1976 | gas phase; M |
By formula: Na+ + C3H9N = (Na+ • C3H9N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28.9 ± 1.4 | kcal/mol | CIDT | Moision and Armentrout, 2002 | 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), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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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, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-2191 |
NIST MS number | 230164 |
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), 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 |
---|---|---|---|---|---|
Packed | SE-30 | 180. | 521. | Oszczapowicz, Osek, et al., 1985 | N2, Chromosorb A AW; Column length: 3. m |
Packed | SE-30 | 180. | 521. | Oszczapowicz, Osek, et al., 1984 | N2, Chromosorb W AW; Column length: 3. m |
Packed | PMS-100 | 130. | 472. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | Apiezon L | 100. | 542. | Golovnya and Zhuravleva, 1973 | |
Packed | Apiezon L | 130. | 518. | Landault and Guiochon, 1964 | Teflon-Haloport; Column length: 2.26 m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PEG-2000 | 120. | 787. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 150. | 785. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 152. | 817. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 179. | 815. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 180. | 783. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 200. | 800. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 515. | Peng, Yang, et al., 1991 | Program: not specified |
Packed | SE-30 | 515. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 100. | 527. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 528. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 140. | 524. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 80. | 526. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 510. | 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 | 542. | Chen and Feng, 2007 | Program: not specified |
Capillary | SPB-1 | 518. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | SPB-1 | 518. | 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 |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 816. | Peng, Yang, et al., 1991, 2 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Scott, 1971
Scott, D.W.,
1-Aminopropane, 2-aminopropane, and 2-methyl-2-aminopropane. Vibrational assignments, conformational analyses, and chemical thermodynamic properties,
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Smith and Good, 1967
Smith, N.K.; Good, W.D.,
Enthalpies of combustion and formation of propylamine, isopropylamine, and tert-butylamine,
J. Chem. Eng. Data, 1967, 12, 572-574. [all data]
Lemoult, 1907
Lemoult, M.P.,
Recherches theoriques et experimentales sur les chaleurs de combustion et de formation des composes organiques,
Ann. Chim. Phys., 1907, 12, 395-432. [all data]
Finke, Messerly, et al., 1972
Finke, H.L.; Messerly, J.F.; Todd, S.S.,
Thermodynamic properties of acrylonitrile, 1-aminopropane, 2-aminopropane, and 2-methyl-2-aminopropane,
J. Chem. Thermodynam., 1972, 4, 359-374. [all data]
Vasil'ev, Petrov, et al., 1971
Vasil'ev, I.A.; Petrov, V.M.; Ignat'ev, V.M.; Vvedenskii, A.A.,
Thermodynamic functions of a series of aliphatic amines. III. Entropy of n-propylamine,
Zhur. Fiz. Khim., 1971, 45, 1316. [all data]
Konicek and Wadso, 1971
Konicek, J.; Wadso, I.,
Thermochemical properties of some carboxylic acids, amines and N-substituted amides in aqueous solution,
Acta Chem. Scand., 1971, 25, 1541-1551. [all data]
Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F.,
Freezing points of orgainic substances VI. New experimental determinations.,
Bull. Soc. Chim. Belg., 1921, 30, 213. [all data]
Finke, Messerly, et al., 1972, 2
Finke, H.L.; Messerly, J.F.; Todd, S.S.,
Thermodynamic properties of acrylonitrile, 1-aminopropane, 2-aminopropane, and 2-methyl-2-aminopropane,
J. Chem. Thermodyn., 1972, 4, 359. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Glaser and Ruland, 1957
Glaser, F.; Ruland, H.,
Untersuchungsen über dampfdruckkurven und kritische daten einiger technisch wichtiger organischer substanzen,
Chem. Ing. Techn., 1957, 29, 772. [all data]
Berthoud, 1917
Berthoud, A.,
Determination of Critical Temperatures and Pressures of Amines and Alkyl Chlorides,
J. Chim. Phys. Phys.-Chim. Biol., 1917, 15, 3. [all data]
Majer, Svoboda, et al., 1979
Majer, Vladimír; Svoboda, Václav; Koubek, Josef; Pick, Jirí,
Temperature dependence of heats of vaporization, saturated vapour pressures and cohesive energies for a group of amines,
Collect. Czech. Chem. Commun., 1979, 44, 12, 3521-3528, https://doi.org/10.1135/cccc19793521
. [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]
Osborn and Douslin, 1968
Osborn, Ann G.; Douslin, Donald R.,
Vapor pressure relations of 13 nitrogen compounds related to petroleum,
J. Chem. Eng. Data, 1968, 13, 4, 534-537, https://doi.org/10.1021/je60039a024
. [all data]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Meot-Ner (Mautner), 1992
Meot-Ner (Mautner), M.,
Intermolecular Forces in Organic Clusters,
J. Am. Chem. Soc., 1992, 114, 9, 3312, https://doi.org/10.1021/ja00035a024
. [all data]
Zielinska and Wincel, 1974
Zielinska, T.J.; Wincel, H.,
Gas - Phase Solvation of Protonated Aliphatic Amines: Methyl, Ethyl, n - Propyl, and Iso - Propylamine,
Chem. Phys. Lett., 1974, 25, 354. [all data]
Brauman and Blair, 1971
Brauman, J.I.; Blair, L.K.,
Gas phase acidities of amines,
J. Am. Chem. Soc., 1971, 93, 3911. [all data]
Davidson and Kebarle, 1976
Davidson, W.R.; Kebarle, P.,
Binding Energies and Stabilities of Potassium Ion Complexes from Studies of Gas Phase Ion Equilibria K+ + M = K+.M,
J. Am. Chem. Soc., 1976, 98, 20, 6133, https://doi.org/10.1021/ja00436a011
. [all data]
Moision and Armentrout, 2002
Moision, R.M.; Armentrout, P.B.,
Experimental and Theoretical Dissection of Sodium Cation/Glycine Interactions,
J. Phys. Chem A, 2002, 106, 43, 10350, https://doi.org/10.1021/jp0216373
. [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]
Wang, Chu, et al., 1999
Wang, Z.; Chu, I.K.; Rodriquez, C.F.; Hopkinson, A.C.; Siu, K.W.M.,
α,ω-Diaminoalkanes as models for bases that dicoordinate the proton: An evaluation of the kinetic method for estimating their proton affinities,
J. Phys. Chem. A., 1999, 103, 8700. [all data]
Aue, Webb, et al., 1976
Aue, D.H.; Webb, H.M.; Bowers, M.T.,
Quantitative proton affinities, ionization potentials, and hydrogen affinities of alkylamines,
J. Am. Chem. Soc., 1976, 98, 311. [all data]
Watanabe and Mottl, 1957
Watanabe, K.; Mottl, J.R.,
Ionization potentials of ammonia and some amines,
J. Chem. Phys., 1957, 26, 1773. [all data]
Peel and Willett, 1977
Peel, J.B.; Willett, G.D.,
Photoelectron spectroscopic studies of the propyl- and allyl- substituted amines,
Aust. J. Chem., 1977, 30, 2571. [all data]
Katsumata, Iwai, et al., 1973
Katsumata, S.; Iwai, T.; Kimura, K.,
Photoelectron spectra and sum rule consideration. Higher alkyl amines and alcohols,
Bull. Chem. Soc. Jpn., 1973, 46, 3391. [all data]
Lossing, Lam, et al., 1981
Lossing, F.P.; Lam, Y.-T.; Maccoll, A.,
Gas phase heats of formation of alkyl immonium ions,
Can. J. Chem., 1981, 59, 2228. [all data]
Chupka, 1959
Chupka, W.A.,
Effect of unimolecular decay kinetics on the interpretation of appearance potentials,
J. Chem. Phys., 1959, 30, 191. [all data]
Solka and Russell, 1974
Solka, B.H.; Russell, M.E.,
Energetics of formation of some structural isomers of gaseous C2H5O+ C2H6N+ ions,
J. Phys. Chem., 1974, 78, 1268. [all data]
Oszczapowicz, Osek, et al., 1985
Oszczapowicz, J.; Osek, J.; Ciszkowski, K.; Krawczyk, W.; Ostrowski, M.,
Retention Indices of Dimethylbenzamidines and Benzylideneamines on a Non-Polar Column,
J. Chromatogr., 1985, 330, 79-85, https://doi.org/10.1016/S0021-9673(01)81964-6
. [all data]
Oszczapowicz, Osek, et al., 1984
Oszczapowicz, J.; Osek, J.; Dolecka, E.,
Retention indices of dimethylformamidines, dimethylacetamidines and tetramethylguanidines on a non-polar column,
J. Chromatogr., 1984, 315, 95-100, https://doi.org/10.1016/S0021-9673(01)90727-7
. [all data]
Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L.,
Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases,
Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]
Golovnya and Zhuravleva, 1973
Golovnya, R.V.; Zhuravleva, I.L.,
Gas Chromatographic Method of Identification of n-Aliphatic Amines Through the Use of Donor-Acceptor Interaction with Phosphate,
Chromatographia, 1973, 6, 12, 508-513, https://doi.org/10.1007/BF02269131
. [all data]
Landault and Guiochon, 1964
Landault, C.; Guiochon, G.,
Separation des amines par chromatographie gaz-liquide en utilisant le teflon comme support,
J. Chromatogr., 1964, 13, 327-336, https://doi.org/10.1016/S0021-9673(01)95126-X
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D.,
Prediction of retention indexes. III. Silylated derivatives of polar compounds,
J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G
. [all data]
Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8
. [all data]
Lebrón-Aguilar, Quintanilla-López, et al., 2007
Lebrón-Aguilar, R.; Quintanilla-López, J.E.; Tello, A.M.; Santiuste, J.M.,
Isothermal retention indices on poly (3,3,3-trifluoropropylmethylsiloxane) stationary phases,
J. Chromatogr. A, 2007, 1160, 1-2, 276-288, https://doi.org/10.1016/j.chroma.2007.05.025
. [all data]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [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]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
. [all data]
Peng, Yang, et al., 1991, 2
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [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), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid Pc Critical 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 d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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