2,2-Dinitropropane

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Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfsolid-46.0 ± 0.3kcal/molCcbLebedeva and Ryadnenko, 1968ALS
Δfsolid-44.87 ± 0.64kcal/molCcbHolcomb and Dorsey, 1949ALS
Quantity Value Units Method Reference Comment
Δcsolid-441.1 ± 0.3kcal/molCcbLebedeva and Ryadnenko, 1968ALS
Δcsolid-442.24 ± 0.64kcal/molCcbHolcomb and Dorsey, 1949ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
49.0300.Godlewska and Rachwalska, 1978crystaline, I phase; T = 100 to 347 K. Data graphically only, value estimated.; DH
49.31298.Billings and Nolle, 1958crystaline, I phase; From PVT data -5 to 25°C. Mean value.; DH

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Quantity Value Units Method Reference Comment
Tboil458.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus326.KN/ARogers and Ortiz, 1972Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Ttriple324.5KN/AGodlewska and Rachwalska, 1978, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
11.1378.AStephenson and Malanowski, 1987Based on data from 363. to 553. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
0.631324.5Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
10.07267.7Domalski and Hearing, 1996CAL
1.7259.7
1.94324.5

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.4469259.7crystaline, IIIcrystaline, IIGodlewska and Rachwalska, 1978DH
2.6948267.7crystaline, IIcrystaline, IGodlewska and Rachwalska, 1978DH
0.6298324.5crystaline, IliquidGodlewska and Rachwalska, 1978DH
2.9207268.crystaline, IIcrystaline, IBillings and Nolle, 1958DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
1.72259.7crystaline, IIIcrystaline, IIGodlewska and Rachwalska, 1978DH
10.07267.7crystaline, IIcrystaline, IGodlewska and Rachwalska, 1978DH
1.94324.5crystaline, IliquidGodlewska and Rachwalska, 1978DH
10.9268.crystaline, II, Calculated from Clausiuscrystaline, I, Clapeyron equation, from dp/dT and density measurementsBillings and Nolle, 1958DH

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:


References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Lebedeva and Ryadnenko, 1968
Lebedeva, N.D.; Ryadnenko, V.L., Heats of combustion and formation of polynitroalkanes, Russ. J. Phys. Chem. (Engl. Transl.), 1968, 42, 1225-1227. [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]

Godlewska and Rachwalska, 1978
Godlewska, M.; Rachwalska, M., An adiabatic calorimetric study of the phase situation in 2,2-dinitropropane, Rap. - Inst. Fiz. Jad. (Krakow) 997/PS, 14p (1978). See also, Phys. Stat. Solid., 1978, A47, 661-665. [all data]

Billings and Nolle, 1958
Billings, J.J.; Nolle, A.W., Investigation by nuclear magnetic resonance of the effects of pressure on the thermal transition and rotator phase of 2,2-dinitropropane, J. Chem. Phys., 1958, 29, 214-220. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Rogers and Ortiz, 1972
Rogers, R.N.; Ortiz, L.W., Thermal characterization of the plastic crystalline phase, Thermochim. Acta, 1972, 3, 379. [all data]

Godlewska and Rachwalska, 1978, 2
Godlewska, M.; Rachwalska, M., An adiabatic calorimetric study of the phase situation in 2,2-dinitropropane, Phys. Status Solidi A, 1978, 47, 661-5. [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]

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]


Notes

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