Ethane, nitro-

Formula: C₂H₅NO₂
Molecular weight: 75.0666
IUPAC Standard InChI: InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3
IUPAC Standard InChIKey: MCSAJNNLRCFZED-UHFFFAOYSA-N
CAS Registry Number: 79-24-3
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: Nitroethane; C2H5NO2; Nitroetan; UN 2842; NE; Nitroparaffin
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Data at other public NIST sites:
- Gas Phase Kinetics Database
Options:
- Switch to SI units

Data at NIST subscription sites:

NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Condensed phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, References, Notes

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
Δ_fH°_liquid	-34.4 ± 0.1	kcal/mol	Ccb	Lebedeva and Ryadenko, 1973	ALS
Δ_fH°_liquid	-34.32 ± 0.26	kcal/mol	Ccb	Cass, Fletcher, et al., 1958	Reanalyzed by Cox and Pilcher, 1970, Original value = -32.3 ± 0.3 kcal/mol; ALS
Δ_fH°_liquid	-33.48 ± 0.31	kcal/mol	Ccb	Holcomb and Dorsey, 1949	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-324.5 ± 0.1	kcal/mol	Ccb	Lebedeva and Ryadenko, 1973	ALS
Δ_cH°_liquid	-324.57 ± 0.25	kcal/mol	Ccb	Cass, Fletcher, et al., 1958	Reanalyzed by Cox and Pilcher, 1970, Original value = -326.6 ± 0.3 kcal/mol; ALS
Δ_cH°_liquid	-325.42 ± 0.30	kcal/mol	Ccb	Holcomb and Dorsey, 1949	ALS

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
32.079	298.15	Liu and Ziegler, 1966	T = 80 to 300 K.; DH

Phase change data

Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, References, Notes

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
T_boil	387.6 ± 0.8	K	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_fus	183.63	K	N/A	Toops, 1956	Uncertainty assigned by TRC = 0.05 K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_triple	183.69	K	N/A	Liu and Ziegler, 1966	Uncertainty assigned by TRC = 0.04 K; based on analysis of melting curve; TRC
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	9.94 ± 0.10	kcal/mol	V	Holcomb and Dorsey, 1949	ALS

Enthalpy of vaporization

Δ_vapH (kcal/mol)	Temperature (K)	Method	Reference	Comment
9.23	339.	EB	Stephenson and Malanowski, 1987	Based on data from 324. to 388. K. See also Toops, 1956, 2 and Dykyj, 1970.; AC
9.87	267.	N/A	Stull, 1947	Based on data from 252. to 387. K.; AC

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K)	A	B	C	Reference	Comment
390.0 to 459.	1.74100	207.774	-269.20	Tolstova, Kogan, et al., 1965	Coefficents calculated by NIST from author's data.
252. to 387.	4.70696	1671.266	-31.963	Stull, 1947	Coefficents calculated by NIST from author's data.

Enthalpy of fusion

Δ_fusH (kcal/mol)	Temperature (K)	Reference	Comment
2.355	183.69	Liu and Ziegler, 1966	DH
2.35	183.7	Domalski and Hearing, 1996	AC

Entropy of fusion

Δ_fusS (cal/mol*K)	Temperature (K)	Reference	Comment
12.82	183.69	Liu and Ziegler, 1966	DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

Reaction thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Ion clustering data, Gas Chromatography, References, Notes

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. 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

C₂H₄NO₂^- + = Ethane, nitro-

By formula: C₂H₄NO₂^- + H⁺ = C₂H₅NO₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	355.9 ± 2.2	kcal/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	357.5 ± 2.9	kcal/mol	G+TS	Cumming and Kebarle, 1978	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	349.5 ± 2.0	kcal/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	351.0 ± 2.0	kcal/mol	IMRE	Cumming and Kebarle, 1978	gas phase; B

CAS Reg. No. 34533-65-8 + 2 Ethane, nitro- = C₆H₁₅N₃O₆^-

By formula: CAS Reg. No. 34533-65-8 + 2C₂H₅NO₂ = C₆H₁₅N₃O₆^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.60 ± 0.20	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.30	kcal/mol	TDAs	Wincel, 2004	gas phase; B

+ Ethane, nitro- = C₂H₅N₂O₄^-

By formula: NO₂^- + C₂H₅NO₂ = C₂H₅N₂O₄^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.80 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.90	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₂H₅N₂O₄^- + 2 Ethane, nitro- = C₄H₁₀N₃O₆^-

By formula: C₂H₅N₂O₄^- + 2C₂H₅NO₂ = C₄H₁₀N₃O₆^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.90 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.80	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₄H₁₀N₃O₆^- + 3 Ethane, nitro- = C₆H₁₅N₄O₈^-

By formula: C₄H₁₀N₃O₆^- + 3C₂H₅NO₂ = C₆H₁₅N₄O₈^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.80 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.00	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₆H₁₅N₄O₈^- + 4 Ethane, nitro- = C₈H₂₀N₅O₁₀^-

By formula: C₆H₁₅N₄O₈^- + 4C₂H₅NO₂ = C₈H₂₀N₅O₁₀^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.00 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.70	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₆H₁₅N₃O₆^- + 3 Ethane, nitro- = C₈H₂₀N₄O₈^-

By formula: C₆H₁₅N₃O₆^- + 3C₂H₅NO₂ = C₈H₂₀N₄O₈^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.60 ± 0.30	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.70	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₈H₂₀N₄O₈^- + 4 Ethane, nitro- = C₁₀H₂₅N₅O₁₀^-

By formula: C₈H₂₀N₄O₈^- + 4C₂H₅NO₂ = C₁₀H₂₅N₅O₁₀^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.90 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.10	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₄H₁₀N₂O₆^- + 2 Ethane, nitro- = C₆H₁₅N₃O₈^-

By formula: C₄H₁₀N₂O₆^- + 2C₂H₅NO₂ = C₆H₁₅N₃O₈^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.70 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.40	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₆H₁₅N₃O₈^- + 3 Ethane, nitro- = C₈H₂₀N₄O₁₀^-

By formula: C₆H₁₅N₃O₈^- + 3C₂H₅NO₂ = C₈H₂₀N₄O₁₀^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.30 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.40	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₈H₂₀N₄O₁₀^- + 4 Ethane, nitro- = C₁₀H₂₅N₅O₁₂^-

By formula: C₈H₂₀N₄O₁₀^- + 4C₂H₅NO₂ = C₁₀H₂₅N₅O₁₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.50 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.70	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₄H₈N₂O₄^- + 2 Ethane, nitro- = C₆H₁₃N₃O₆^-

By formula: C₄H₈N₂O₄^- + 2C₂H₅NO₂ = C₆H₁₃N₃O₆^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.20 ± 0.80	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.70	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₄H₉N₂O₄^- + 2 Ethane, nitro- = C₆H₁₄N₃O₆^-

By formula: C₄H₉N₂O₄^- + 2C₂H₅NO₂ = C₆H₁₄N₃O₆^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.40 ± 0.80	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.20	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₂H₃NO₂^- + Ethane, nitro- = C₄H₈N₂O₄^-

By formula: C₂H₃NO₂^- + C₂H₅NO₂ = C₄H₈N₂O₄^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.70 ± 0.80	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₂H₄NO₂^- + Ethane, nitro- = C₄H₉N₂O₄^-

By formula: C₂H₄NO₂^- + C₂H₅NO₂ = C₄H₉N₂O₄^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.20 ± 0.80	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.00	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₂H₆NO₂⁺ + Ethane, nitro- = (C₂H₆NO₂⁺ • )

By formula: C₂H₆NO₂⁺ + C₂H₅NO₂ = (C₂H₆NO₂⁺ • C₂H₅NO₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	31.	kcal/mol	PHPMS	Meot-Ner, Hunter, et al., 1979	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	33.	cal/mol*K	PHPMS	Meot-Ner, Hunter, et al., 1979	gas phase; M

Ion clustering data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas Chromatography, References, Notes

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C₂H₃NO₂^- + Ethane, nitro- = C₄H₈N₂O₄^-

By formula: C₂H₃NO₂^- + C₂H₅NO₂ = C₄H₈N₂O₄^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.70 ± 0.80	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₂H₄NO₂^- + Ethane, nitro- = C₄H₉N₂O₄^-

By formula: C₂H₄NO₂^- + C₂H₅NO₂ = C₄H₉N₂O₄^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.20 ± 0.80	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.00	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₂H₅N₂O₄^- + 2 Ethane, nitro- = C₄H₁₀N₃O₆^-

By formula: C₂H₅N₂O₄^- + 2C₂H₅NO₂ = C₄H₁₀N₃O₆^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.90 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.80	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₂H₆NO₂⁺ + Ethane, nitro- = (C₂H₆NO₂⁺ • )

By formula: C₂H₆NO₂⁺ + C₂H₅NO₂ = (C₂H₆NO₂⁺ • C₂H₅NO₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	31.	kcal/mol	PHPMS	Meot-Ner, Hunter, et al., 1979	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	33.	cal/mol*K	PHPMS	Meot-Ner, Hunter, et al., 1979	gas phase; M

C₄H₈N₂O₄^- + 2 Ethane, nitro- = C₆H₁₃N₃O₆^-

By formula: C₄H₈N₂O₄^- + 2C₂H₅NO₂ = C₆H₁₃N₃O₆^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.20 ± 0.80	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.70	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₄H₉N₂O₄^- + 2 Ethane, nitro- = C₆H₁₄N₃O₆^-

By formula: C₄H₉N₂O₄^- + 2C₂H₅NO₂ = C₆H₁₄N₃O₆^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.40 ± 0.80	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.20	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₄H₁₀N₂O₆^- + 2 Ethane, nitro- = C₆H₁₅N₃O₈^-

By formula: C₄H₁₀N₂O₆^- + 2C₂H₅NO₂ = C₆H₁₅N₃O₈^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.70 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.40	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₄H₁₀N₃O₆^- + 3 Ethane, nitro- = C₆H₁₅N₄O₈^-

By formula: C₄H₁₀N₃O₆^- + 3C₂H₅NO₂ = C₆H₁₅N₄O₈^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.80 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.00	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₆H₁₅N₃O₆^- + 3 Ethane, nitro- = C₈H₂₀N₄O₈^-

By formula: C₆H₁₅N₃O₆^- + 3C₂H₅NO₂ = C₈H₂₀N₄O₈^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.60 ± 0.30	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.70	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₆H₁₅N₃O₈^- + 3 Ethane, nitro- = C₈H₂₀N₄O₁₀^-

By formula: C₆H₁₅N₃O₈^- + 3C₂H₅NO₂ = C₈H₂₀N₄O₁₀^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.30 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.40	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₆H₁₅N₄O₈^- + 4 Ethane, nitro- = C₈H₂₀N₅O₁₀^-

By formula: C₆H₁₅N₄O₈^- + 4C₂H₅NO₂ = C₈H₂₀N₅O₁₀^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.00 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.70	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₈H₂₀N₄O₈^- + 4 Ethane, nitro- = C₁₀H₂₅N₅O₁₀^-

By formula: C₈H₂₀N₄O₈^- + 4C₂H₅NO₂ = C₁₀H₂₅N₅O₁₀^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.90 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.10	kcal/mol	TDAs	Wincel, 2004	gas phase; B

C₈H₂₀N₄O₁₀^- + 4 Ethane, nitro- = C₁₀H₂₅N₅O₁₂^-

By formula: C₈H₂₀N₄O₁₀^- + 4C₂H₅NO₂ = C₁₀H₂₅N₅O₁₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.50 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.70	kcal/mol	TDAs	Wincel, 2004	gas phase; B

+ Ethane, nitro- = C₂H₅N₂O₄^-

By formula: NO₂^- + C₂H₅NO₂ = C₂H₅N₂O₄^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.80 ± 0.50	kcal/mol	TDAs	Wincel, 2004	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.90	kcal/mol	TDAs	Wincel, 2004	gas phase; B

Gas Chromatography

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, References, Notes

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	HP-1	100.	618.58	Görgényi and Héberger, 2003	N2; Column length: 30. m; Phase thickness: 3. μm
Capillary	HP-1	110.	619.51	Görgényi and Héberger, 2003	N2; Column length: 30. m; Phase thickness: 3. μm
Capillary	HP-1	120.	620.51	Görgényi and Héberger, 2003	N2; Column length: 30. m; Phase thickness: 3. μm
Capillary	HP-1	20.	616.27	Görgényi and Héberger, 2003	N2; Column length: 30. m; Phase thickness: 3. μm
Capillary	HP-1	30.	615.97	Görgényi and Héberger, 2003	N2; Column length: 30. m; Phase thickness: 3. μm
Capillary	HP-1	40.	615.90	Görgényi and Héberger, 2003	N2; Column length: 30. m; Phase thickness: 3. μm
Capillary	HP-1	50.	616.07	Görgényi and Héberger, 2003	N2; Column length: 30. m; Phase thickness: 3. μm
Capillary	HP-1	60.	616.25	Görgényi and Héberger, 2003	N2; Column length: 30. m; Phase thickness: 3. μm
Capillary	HP-1	70.	616.67	Görgényi and Héberger, 2003	N2; Column length: 30. m; Phase thickness: 3. μm
Capillary	HP-1	80.	617.22	Görgényi and Héberger, 2003	N2; Column length: 30. m; Phase thickness: 3. μm
Capillary	HP-1	90.	617.81	Görgényi and Héberger, 2003	N2; Column length: 30. m; Phase thickness: 3. μm
Packed	C78, Branched paraffin	130.	567.8	Reddy, Dutoit, et al., 1992	Chromosorb G HP; Column length: 3.3 m
Packed	Apolane	130.	572.	Dutoit, 1991	Column length: 3.7 m
Packed	SF-96	100.	638.	Boneva and Dimov, 1979	N2; Column length: 2. m
Packed	SF-96	110.	638.	Boneva and Dimov, 1979	N2; Column length: 2. m
Packed	SF-96	90.	634.	Boneva and Dimov, 1979	N2; Column length: 2. m
Packed	Apiezon L	100.	592.	Brown, Chapman, et al., 1968	N2, DCMS-treated Chromosorb W; Column length: 2.3 m
Packed	Apiezon L	150.	609.	Brown, Chapman, et al., 1968	N2, DCMS-treated Chromosorb W; Column length: 2.3 m
Packed	DC-200	100.	623.	Rohrschneider, 1966	Column length: 4. m
Packed	Apiezon L	100.	598.	Rohrschneider, 1966	Column length: 5. m
Packed	Apiezon L	130.	590.	Wehrli and Kováts, 1959	Celite; Column length: 2.25 m
Packed	Apiezon L	70.	583.	Wehrli and Kováts, 1959	Celite; Column length: 2.25 m

Kovats' RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	HP-Innowax	100.	1194.2	Görgényi and Héberger, 2003	Column length: 30. m; Phase thickness: 0.5 μm
Capillary	HP-Innowax	110.	1196.2	Görgényi and Héberger, 2003	Column length: 30. m; Phase thickness: 0.5 μm
Capillary	HP-Innowax	120.	1199.2	Görgényi and Héberger, 2003	Column length: 30. m; Phase thickness: 0.5 μm
Capillary	HP-Innowax	50.	1179.4	Görgényi and Héberger, 2003	Column length: 30. m; Phase thickness: 0.5 μm
Capillary	HP-Innowax	60.	1181.3	Görgényi and Héberger, 2003	Column length: 30. m; Phase thickness: 0.5 μm
Capillary	HP-Innowax	70.	1183.9	Görgényi and Héberger, 2003	Column length: 30. m; Phase thickness: 0.5 μm
Capillary	HP-Innowax	80.	1187.3	Görgényi and Héberger, 2003	Column length: 30. m; Phase thickness: 0.5 μm
Capillary	HP-Innowax	90.	1190.2	Görgényi and Héberger, 2003	Column length: 30. m; Phase thickness: 0.5 μm
Packed	Carbowax 20M	100.	1168.	Rohrschneider, 1966	Column length: 2. m

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	636.89	Hobbs and Conde, 1992	30. m/0.25 mm/0.25 μm, 5. K/min; T_start: 40. C; T_end: 300. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Methyl Silicone	590.	N/A	Program: not specified
Capillary	SPB-1	618.	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	623.	Zenkevich and Chupalov, 1996	Program: not specified
Capillary	SPB-1	618.	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	655.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1161.	Ramsey and Flanagan, 1982	Program: not specified

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, Notes

Lebedeva and Ryadenko, 1973
Lebedeva, N.D.; Ryadenko, V.L.R., Enthalpies of formation of nitroalkanes, Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 1382. [all data]

Cass, Fletcher, et al., 1958
Cass, R.C.; Fletcher, S.E.; Mortimer, C.T.; Quincey, P.G.; Springall, H.D., Heats of combustion and molecular structure. Part IV. Aliphatic nitroalkanes and nitric esters, J. Chem. Soc., 1958, 958-962. [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]

Holcomb and Dorsey, 1949
Holcomb, D.E.; Dorsey, C.L., Jr., Thermodynamic properties of nitroparaffins, Ind. Eng. Chem., 1949, 41, 2788-2792. [all data]

Liu and Ziegler, 1966
Liu, K.F.; Ziegler, W.T., Heat capacity from 80° to 300°K., melting point and heat of fusion of nitroethane, J. Chem. Eng. Data, 1966, 11, 187-189. [all data]

Toops, 1956
Toops, E.E., Physical Properties of High Purity Nitroparaffins, J. Phys. Chem., 1956, 60, 304-6. [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]

Toops, 1956, 2
Toops, Emory E., Physical Properties of Eight High-Purity Nitroparaffins, J. Phys. Chem., 1956, 60, 3, 304-306, https://doi.org/10.1021/j150537a012 . [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]

Tolstova, Kogan, et al., 1965
Tolstova, T.S.; Kogan, V.B.; Skorokhodova, V.L., Equilibrium Liquid-Steam in Systems Nitrobensol-Nitromethane, Nitrobensol-Nitroethane, Zh. Prikl. Khim. (Leningrad), 1965, 38, 11, 2617-2618. [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]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]

Wincel, 2004
Wincel, H., Gas-phase clustering reactions of NO2-, C2H3NO2-, C2H4NO2-C2H5NO2- and C2H5NO4- with C2H5NO2, Int. J. Mass Spectrom., 2004, 232, 2, 185-194, https://doi.org/10.1016/j.ijms.2004.01.003 . [all data]

Meot-Ner, Hunter, et al., 1979
Meot-Ner, (Mautner); Hunter, E.P.; Field, F.H., Ion Thermochemistry of Low Volatility Compounds in the Gas Phase. I. Intrinsic Basicities of Alpha - Amino Acids, J. Am. Chem. Soc., 1979, 101, 3, 686, https://doi.org/10.1021/ja00497a034 . [all data]

Görgényi and Héberger, 2003
Görgényi, M.; Héberger, K., Minimum in the temperature dependence of the Kováts retention indices of nitroalkanes and alkanenitriles on an apolar phase, J. Chromatogr. A, 2003, 985, 1-2, 11-19, https://doi.org/10.1016/S0021-9673(02)01842-3 . [all data]

Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz., Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups, J. Chromatogr., 1992, 609, 1-2, 229-259, https://doi.org/10.1016/0021-9673(92)80167-S . [all data]

Dutoit, 1991
Dutoit, J., Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases, J. Chromatogr., 1991, 555, 1-2, 191-204, https://doi.org/10.1016/S0021-9673(01)87179-X . [all data]

Boneva and Dimov, 1979
Boneva, S.; Dimov, N., Chromatographic retention indices of C₁-C₄ nitroparaffins, Zh. Anal. Khim., 1979, 34, 6, 902-905. [all data]

Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J., Gas chromatography of polar solutes in electron acceptor stationary phases, Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125 . [all data]

Rohrschneider, 1966
Rohrschneider, L., Eine methode zur charakterisierung von gaschromatographischen trennflüssigkeiten, J. Chromatogr., 1966, 22, 6-22, https://doi.org/10.1016/S0021-9673(01)97064-5 . [all data]

Wehrli and Kováts, 1959
Wehrli, A.; Kováts, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 1959, 7, 7, 2709-2736, https://doi.org/10.1002/hlca.19590420745 . [all data]

Hobbs and Conde, 1992
Hobbs, J.R.; Conde, E.P., Gas chromatographic retention indices of explosives and nitro-compounds in Advances in Analysis and Detection of Explosives: Proceedings of the 4th International Symposium on Analysis of Detection of Explosives, September 7-10, 1992, Jerusalem Israel, J. Yinon, ed(s)., Kluwer Academic Publishers, Netherlands, 1992, 153-164. [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/technical_series₁997-01-01₁.pdf. [all data]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [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]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, References

Symbols used in this document:

C_p,liquid	Constant pressure heat capacity of liquid
T_boil	Boiling point
T_fus	Fusion (melting) point
T_triple	Triple point temperature
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_fusH	Enthalpy of fusion
Δ_fusS	Entropy of fusion
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions

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.