p-Diacetylbenzene diethyl ketal
- Formula: C18H30O4
- Molecular weight: 310.4284
- IUPAC Standard InChIKey: OKYWFWIKJZITQH-UHFFFAOYSA-N
- CAS Registry Number: 47189-08-2
- 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. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
Data at NIST subscription sites:
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.
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -189.7 ± 2.2 | kcal/mol | Ccb | Karyakin, Sapozhnikov, et al., 1978 | see Karyakin, Sapozhnikov, et al., 1977 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, 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°solid | -216.5 ± 1.7 | kcal/mol | Ccb | Karyakin, Sapozhnikov, et al., 1978 | see Karyakin, Sapozhnikov, et al., 1977; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -2501. ± 1. | kcal/mol | Ccb | Karyakin, Sapozhnikov, et al., 1978 | see Karyakin, Sapozhnikov, et al., 1977; Corresponding ΔfHºsolid = -217. kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 118.0 | cal/mol*K | N/A | Karyakin, Rabinovich, et al., 1978 | DH |
S°solid,1 bar | 118.0 | cal/mol*K | N/A | Karyakin, Sapozhnikov, et al., 1978, 2 | DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
110.4 | 298.15 | Karyakin, Rabinovich, et al., 1978 | T = 5 to 340 K.; DH |
110. | 300. | Karyakin, Sapozhnikov, et al., 1978, 2 | T = 5 to 326.1 K. Data given graphically. Value estimated from graph.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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:
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 |
---|---|---|---|---|---|
Ttriple | 326.61 | K | N/A | Karyakin, Rabinovich, et al., 1978 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 326.21 | K | N/A | Karyakin, Sapozhnikov, et al., 1977, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 26.82 ± 0.48 | kcal/mol | V | Karyakin, Sapozhnikov, et al., 1978 | see Karyakin, Sapozhnikov, et al., 1977; ALS |
ΔsubH° | 26.82 | kcal/mol | N/A | Karyakin, Sapozhnikov, et al., 1978 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
21.2 | 338. | A | Stephenson and Malanowski, 1987 | Based on data from 329. to 347. K.; AC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
26.89 | 316.5 | Karyakin, Kamelova, et al., 1978 | Based on data from 306. to 327. K. See also Stephenson and Malanowski, 1987.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.62 | 326.2 | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.3124 | 168.24 | crystaline, II | crystaline, I | Karyakin, Rabinovich, et al., 1978 | DH |
5.6166 | 326.61 | crystaline, I | liquid | Karyakin, Rabinovich, et al., 1978 | DH |
0.3124 | 168.2 | crystaline, II | crystaline, I | Karyakin, Sapozhnikov, et al., 1978, 2 | DH |
5.6166 | 326.21 | crystaline, I | liquid | Karyakin, Sapozhnikov, et al., 1978, 2 | DH |
0.3119 | 168.2 | crystaline, II | crystaline, I | Karyakin, Sapozhnikov, et al., 1977 | DH |
5.6171 | 326.21 | crystaline, I | liquid | Karyakin, Sapozhnikov, et al., 1977 | Sm = 23502/326.21 = 72.0 J/mol*K.; DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.95 | 168.24 | crystaline, II | crystaline, I | Karyakin, Rabinovich, et al., 1978 | DH |
17.20 | 326.61 | crystaline, I | liquid | Karyakin, Rabinovich, et al., 1978 | DH |
1.95 | 168.2 | crystaline, II | crystaline, I | Karyakin, Sapozhnikov, et al., 1978, 2 | DH |
17.22 | 326.21 | crystaline, I | liquid | Karyakin, Sapozhnikov, et al., 1978, 2 | DH |
2.0 | 168.2 | crystaline, II | crystaline, I | Karyakin, Sapozhnikov, et al., 1977 | DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Karyakin, Sapozhnikov, et al., 1978
Karyakin, N.V.; Sapozhnikov, V.N.; Teplyakov, M.M.; Chebotarev, V.P.,
The thermodynamics of polycondensation of the ethyl ketals of acetophenone and ρ-diacetylbenzene,
Polym. Sci. USSR, 1978, 20, 2191-2199. [all data]
Karyakin, Sapozhnikov, et al., 1977
Karyakin, N.V.; Sapozhnikov, V.N.; Teplyakov, M.M.; Chebotarev, V.P.,
Thermodynamics of the synthesis of polyphenylene based on ethyl ketals of acetophenone and p-diacetylbenzene,
Dokl. Phys. Chem. (Engl. Transl.), 1977, 237, 867-870. [all data]
Karyakin, Rabinovich, et al., 1978
Karyakin, N.V.; Rabinovich, I.B.; Nistratov, V.P.,
Heat capacity and thermodynamic functions of p-diacetylbenzene diethyl ketal,
Termodin. Org. Soedin., 1978, (7), 12-16. [all data]
Karyakin, Sapozhnikov, et al., 1978, 2
Karyakin, N.V.; Sapozhnikov, V.N.; Teplyakov, M.M.; Chebotarev, V.P.,
The thermodynamics of polycondensation of the ethyl ketals of acetophenone and p-diacetylbenzene,
Vysokomol. Soedin., 1978, A20, 1950-1956. [all data]
Karyakin, Sapozhnikov, et al., 1977, 2
Karyakin, N.V.; Sapozhnikov, V.N.; Teplyakov, M.M.; Chebotarev, V.P.,
Thermodynamics of the synthesis of polyphenylene based on acetophenone and p-diacetylbenzene diethyl acetals,
Dokl. Akad. Nauk SSSR, 1977, 237, 867-70. [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]
Karyakin, Kamelova, et al., 1978
Karyakin, N.V.; Kamelova, G.P.; Sapozhnikov, V.N.,
Termodin. Org. Soedin., 1978, 7, 52. [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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - 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.