Benzene, propyl-
- Formula: C9H12
- Molecular weight: 120.1916
- IUPAC Standard InChIKey: ODLMAHJVESYWTB-UHFFFAOYSA-N
- CAS Registry Number: 103-65-1
- 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: n-Propylbenzene; Isocumene; Propylbenzene; 1-Phenylpropane; 1-Propylbenzene; Phenylpropane; UN 2364; Benzene, n-propyl-; NSC 16941
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Phase change data
Go To: Top, 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 | 432. ± 2. | K | AVG | N/A | Average of 41 out of 46 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 173. ± 2. | K | AVG | N/A | Average of 16 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 173.59 | K | N/A | Messerly, Todd, et al., 1965 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Ttriple | 171.6 | K | N/A | Messerly, Todd, et al., 1965 | Metastable crystal phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 638.4 ± 0.1 | K | N/A | Tsonopoulos and Ambrose, 1995 | |
Tc | 638.24 | K | N/A | Ambrose, Broderick, et al., 1967 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tc | 638.36 | K | N/A | Ambrose, Cox, et al., 1960 | Uncertainty assigned by TRC = 0.3 K; Visual, PRT, IPTS-48; TRC |
Tc | 639.2 | K | N/A | Simon, 1957 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tc | 638.8 | K | N/A | Altschul, 1893 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 32.00 ± 0.10 | bar | N/A | Tsonopoulos and Ambrose, 1995 | |
Pc | 32.00 | bar | N/A | Ambrose, Broderick, et al., 1967 | Uncertainty assigned by TRC = 0.06 bar; TRC |
Pc | 31.70 | bar | N/A | Altschul, 1893 | Uncertainty assigned by TRC = 0.049 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.440 | l/mol | N/A | Tsonopoulos and Ambrose, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.27 ± 0.010 | mol/l | N/A | Tsonopoulos and Ambrose, 1995 | |
ρc | 2.269 | mol/l | N/A | Simon, 1957 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 46.0 ± 0.8 | kJ/mol | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
42.7 | 363. | A,MM | Stephenson and Malanowski, 1987 | Based on data from 348. to 433. K. See also Forziati, Norris, et al., 1949 and Willingham, Taylor, et al., 1945.; AC |
43.8 | 355. | N/A | Paul, Krug, et al., 1986 | Based on data from 340. to 391. K.; AC |
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 |
---|---|---|---|---|
348.97 to 433.39 | 4.07584 | 1490.963 | -66.0 | Forziati, Norris, et al., 1949, 2 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.27 | 173.6 | Acree, 1991 | AC |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
8.498 | 171.67 | crystaline, II | liquid | Messerly, Todd, et al., 1965, 2 | DH |
9.268 | 173.60 | crystaline, I | liquid | Messerly, Todd, et al., 1965, 2 | Metastable crystals.; DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
49.50 | 171.67 | crystaline, II | liquid | Messerly, Todd, et al., 1965, 2 | DH |
53.39 | 173.60 | crystaline, I | liquid | Messerly, Todd, et al., 1965, 2 | Metastable; DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Messerly, Todd, et al., 1965
Messerly, J.F.; Todd, S.S.; Finke, H.L.,
Low-Temperature Thermodynamic Prop. of n-Propyl and n-Butylbenzenes,
J. Phys. Chem., 1965, 69, 4304-11. [all data]
Tsonopoulos and Ambrose, 1995
Tsonopoulos, C.; Ambrose, D.,
Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons,
J. Chem. Eng. Data, 1995, 40, 547-558. [all data]
Ambrose, Broderick, et al., 1967
Ambrose, D.; Broderick, B.E.; Townsend, R.,
The Vapour Pressures above the Normal Boiling Point and the Critical Pressures of Some Aromatic Hydrocarbons,
J. Chem. Soc. , 1967, 1967, 1967, 633-41. [all data]
Ambrose, Cox, et al., 1960
Ambrose, D.; Cox, J.D.; Townsend, R.,
The critical temperatures of forty organic compounds,
Trans. Faraday Soc., 1960, 56, 1452. [all data]
Simon, 1957
Simon, M.,
Methods and Apparatus Used at the Bureau of Physicochemical Standards XV. Critical Constants and Straight-Line Diameters of Ten Hydrocarbons,
Bull. Soc. Chim. Belg., 1957, 66, 375-81. [all data]
Altschul, 1893
Altschul, M.,
The critical values of some organic compounds,
Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1893, 11, 577. [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]
Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D.,
Vapor pressures and boiling points of sixty API-NBS hydrocarbons,
J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050
. [all data]
Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons,
J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009
. [all data]
Paul, Krug, et al., 1986
Paul, Hanns-Ingolf; Krug, Joseph; Knapp, Helmut,
Measurements of VLE, hE and vE for binary mixtures of n-alkanes with n-alkylbenzenes,
Thermochimica Acta, 1986, 108, 9-27, https://doi.org/10.1016/0040-6031(86)85073-0
. [all data]
Forziati, Norris, et al., 1949, 2
Forziati, A.F.; Norris, W.R.; Rossini, F.D.,
Vapor Pressures and Boiling Points of Sixty API-NBS Hydrocarbons,
J. Res. Natl. Bur. Stand. (U.S.), 1949, 43, 6, 555-563, https://doi.org/10.6028/jres.043.050
. [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]
Messerly, Todd, et al., 1965, 2
Messerly, J.F.; Todd, S.S.; Finke, H.L.,
Low-temperature thermodynamic properties of n-propyl- and n-butylbenzene,
J. Phys. Chem., 1965, 69, 4304-4311. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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