Propyl mercaptan
- Formula: C3H8S
- Molecular weight: 76.161
- IUPAC Standard InChIKey: SUVIGLJNEAMWEG-UHFFFAOYSA-N
- CAS Registry Number: 107-03-9
- 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-Propanethiol; n-Propyl mercaptan; Propanethiol; 1-Propyl mercaptan; n-C3H7SH; Propane-1-thiol; 1-Mercaptopropane; 1-Propylthiol; n-Propylthiol; Propylthiol
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Condensed phase thermochemistry data
Go To: Top, 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°liquid | -24.04 ± 0.15 | kcal/mol | Ccr | Hubbard and Waddington, 1954 | Heat of combustion calculated author's U=-675.26; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -675.26 ± 0.12 | kcal/mol | Ccr | Hubbard and Waddington, 1954 | Heat of combustion calculated author's U=-675.26; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 57.959 | cal/mol*K | N/A | Pennington, Scott, et al., 1956 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
34.551 | 298.15 | Pennington, Scott, et al., 1956 | T = 10 to 320 K.; DH |
Phase change data
Go To: Top, 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:
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.
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 |
---|---|---|---|---|---|
Tboil | 340.9 ± 0.7 | K | AVG | N/A | Average of 18 out of 21 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 160. ± 1. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 159.9800 | K | N/A | Pennington, Scott, et al., 1956, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 159.9900 | K | N/A | Pennington, Scott, et al., 1956, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.03 K; TRC |
Ttriple | 160.00 | K | N/A | Anonymous, 1954 | Uncertainty assigned by TRC = 0.07 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 536.6 | K | N/A | Teja and Anselme, 1990 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tc | 535.6 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.49 | mol/l | N/A | Teja and Anselme, 1990 | Uncertainty assigned by TRC = 0.1 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.660 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 7.62 | kcal/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 7.645 | kcal/mol | V | Pennington, Scott, et al., 1956, 3 | ALS |
ΔvapH° | 7.65 | kcal/mol | N/A | Hubbard and Waddington, 1954 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.060 | 340.9 | N/A | Majer and Svoboda, 1985 | |
8.05 | 269. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 254. to 364. K.; AC |
7.60 | 312. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 297. to 375. K. See also Pennington, Scott, et al., 1956, Osborn and Douslin, 1966, and Hubbard and Waddington, 2010.; AC |
7.55 ± 0.02 | 303. | C | Pennington, Scott, et al., 1956 | AC |
7.34 ± 0.02 | 320. | C | Pennington, Scott, et al., 1956 | AC |
7.05 ± 0.02 | 341. | C | Pennington, Scott, et al., 1956 | AC |
7.53 | 312. | N/A | Taylor and Layng, 1933 | Based on data from 284. to 340. K.; 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)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
303. to 341. | 11.1 | 0.2753 | 535.6 | Majer and Svoboda, 1985 |
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 |
---|---|---|---|---|---|
297.42 to 375.24 | 4.04782 | 1183.392 | -48.516 | Pennington, Scott, et al., 1956 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.31 | 160. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.680 | 142.1 | Domalski and Hearing, 1996 | CAL |
8.181 | 160. |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.94909 | 142.10 | crystaline, II | crystaline, I | Pennington, Scott, et al., 1956 | DH |
1.3090 | 160.00 | crystaline, I | liquid | Pennington, Scott, et al., 1956 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
6.680 | 142.10 | crystaline, II | crystaline, I | Pennington, Scott, et al., 1956 | DH |
8.181 | 160.00 | crystaline, I | liquid | Pennington, Scott, et al., 1956 | DH |
References
Go To: Top, 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.
Hubbard and Waddington, 1954
Hubbard, W.N.; Waddington, G.,
The heat of combustion, formation and isomerization of propanethiol-1, propane-thiol-2 and 2-thiabutane,
Rec. Trav. Chim. Pays/Bas, 1954, 73, 910. [all data]
Pennington, Scott, et al., 1956
Pennington, R.E.; Scott, D.W.; Finke, H.L.; McCullough, J.P.; Messerly, J.F.; Hossenlopp, I.A.; Waddington, G.,
The chemical thermodynamic properties and rotational tautomerism of 1-propanethiol,
J. Am. Chem. Soc., 1956, 78, 3266-3272. [all data]
Pennington, Scott, et al., 1956, 2
Pennington, R.E.; Scott, D.W.; Finke, H.L.; McCullough, J.P.; Messerly, J.F.; Hossenlopp, I.A.; Waddington, G.,
The chemical thermodynamic properties and rotational tautomerism of 1-propanethiol.,
J. Am. Chem. Soc., 1956, 78, 3266-72. [all data]
Anonymous, 1954
Anonymous, R.,
, Am. Pet. Inst. Res. Proj. 45, Tech. Rep. 13, Ohio State Univ., 1954. [all data]
Teja and Anselme, 1990
Teja, A.S.; Anselme, M.J.,
The critical properties of thermally stable and unstable fluids. II. 1986 results,
AIChE Symp. Ser., 1990, 86, 279, 122-7. [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]
Reid, 1972
Reid, Robert C.,
Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00,
AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637
. [all data]
Pennington, Scott, et al., 1956, 3
Pennington, R.E.; Scott, D.W.; Finke, H.L.; McCullough, J.P.; Messerly, J.F.; Hossenlopp, I.A.; Waddington, G.,
The chemical thermodynamic properties and rotational tautomerism of 1-propanethiol,
J. Am. Chem. Soc., 1956, 78, 3266-32. [all data]
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [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, 1966
Osborn, A.G.; Douslin, D.R.,
Vapor Pressure Relations of 36 Sulfur Compounds Present in Petroleum.,
J. Chem. Eng. Data, 1966, 11, 4, 502-509, https://doi.org/10.1021/je60031a014
. [all data]
Hubbard and Waddington, 2010
Hubbard, Ward N.; Waddington, Guy,
The heats of combustion, formation and isomerization of propanethiol-1, propane-thiol-2 and 2-thiabutane,
Recl. Trav. Chim. Pays-Bas, 2010, 73, 11, 910-923, https://doi.org/10.1002/recl.19540731107
. [all data]
Taylor and Layng, 1933
Taylor, H. Austin; Layng, Edwin T.,
The Thermal Decomposition of Propyl Mercaptan,
J. Chem. Phys., 1933, 1, 11, 798, https://doi.org/10.1063/1.1749248
. [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, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy 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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