Spiropentane
- Formula: C5H8
- Molecular weight: 68.1170
- IUPAC Standard InChIKey: OGNAOIGAPPSUMG-UHFFFAOYSA-N
- CAS Registry Number: 157-40-4
- 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: Spiro[2.2]pentane
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Gas phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 44.23 ± 0.18 | kcal/mol | Cm | Fraser and Prosen, 1955 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -787.77 ± 0.17 | kcal/mol | Cm | Fraser and Prosen, 1955 | Corresponding ΔfHºgas = 44.25 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°gas | -778.7 ± 0.31 | kcal/mol | Ccb | Humphrey and Spitzer, 1950 | Corresponding ΔfHºgas = 35.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
66.37 ± 0.15 | 283.16 | Scott D.W., 1950 | GT |
67.45 ± 0.15 | 298.16 | ||
68.44 ± 0.15 | 312.14 |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
21.06 | 298.15 | Scott D.W., 1950 | Heat capacity values calculated using more recent assignment of vibrational frequencies [ Burns G.R., 1975] agree well with those of the [ Scott D.W., 1950].; GT |
21.19 | 300. | ||
28.549 | 400. | ||
34.909 | 500. | ||
40.100 | 600. | ||
44.359 | 700. | ||
47.911 | 800. | ||
50.930 | 900. | ||
53.511 | 1000. | ||
55.729 | 1100. | ||
57.641 | 1200. | ||
59.290 | 1300. | ||
60.729 | 1400. | ||
61.979 | 1500. |
Phase change data
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 312.1 | K | N/A | Majer and Svoboda, 1985 | |
Tboil | 303.18 | K | N/A | Cleaves and Sherrick, 1946 | Uncertainty assigned by TRC = 0.1 K; same as in 1946 sla 1; TRC |
Tboil | 312.18 | K | N/A | Slabey, 1946 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 166.10 | K | N/A | Cleaves and Sherrick, 1946 | Uncertainty assigned by TRC = 0.1 K; same as in 1946 sla 1; TRC |
Tfus | 166.10 | K | N/A | Slabey, 1946 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 166.14 | K | N/A | Scott, Finke, et al., 1950 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 506.4 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 6.62 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 6.57 ± 0.02 | kcal/mol | C | Scott, Finke, et al., 1950, 2 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.396 | 312.1 | N/A | Majer and Svoboda, 1985 | |
6.3929 | 312.13 | N/A | Scott, Finke, et al., 1950, 2 | P = 101.325 kPa; DH |
6.84 | 291. | A | Stephenson and Malanowski, 1987 | Based on data from 276. to 344. K. See also Scott, Finke, et al., 1950, 3.; AC |
6.76 ± 0.02 | 283. | C | Scott, Finke, et al., 1950, 2 | AC |
6.38 ± 0.02 | 312. | C | Scott, Finke, et al., 1950, 2 | 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 |
---|---|---|---|---|---|
283. to 312. | 9.904 | 0.2778 | 506.4 | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
20.48 | 312.13 | Scott, Finke, et al., 1950, 2 | P; DH |
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 |
---|---|---|---|---|---|
276.78 to 343.98 | 4.03563 | 1089.801 | -42.079 | Scott, Finke, et al., 1950, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.5376 | 166.14 | Scott, Finke, et al., 1950, 2 | DH |
1.54 | 166.1 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.254 | 166.14 | Scott, Finke, et al., 1950, 2 | DH |
Mass spectrum (electron ionization)
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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 118856 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fraser and Prosen, 1955
Fraser, F.M.; Prosen, E.J.,
Heats of combustion and isomerization of six pentadienes and spiropentane,
J. Res. NBS, 1955, 54, 143-148. [all data]
Humphrey and Spitzer, 1950
Humphrey, G.I.; Spitzer, R.,
Bond hybridization in the non-tetrahedral carbon atom. The heats of combustion of spiro-pentane and methylcyclobutane,
J. Chem. Phys., 1950, 18, 902. [all data]
Scott D.W., 1950
Scott D.W.,
Spiropentane: heat capacity, heats of fusion and vaporization, vapor pressure, entropy and thermodynamic functions,
J. Am. Chem. Soc., 1950, 72, 4664-4668. [all data]
Burns G.R., 1975
Burns G.R.,
The force field and normal coordinates of spiropentane,
J. Mol. Struct., 1975, 27, 383-390. [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]
Cleaves and Sherrick, 1946
Cleaves, A.P.; Sherrick, M.E.,
, Natl. Advis. Comm. Aeronaut., 1946. [all data]
Slabey, 1946
Slabey, V.A.,
, Natl. Advis. Comm. Aeronaut., 1946. [all data]
Scott, Finke, et al., 1950
Scott, D.W.; Finke, H.L.; Hubbard, W.N.; McCullough, J.P.; Gross, M.E.; Williamson, K.D.; Waddington, G.; Huffman, H.M.,
Spiropentane: Heat Capacity, Heats of Fusion and Vaporization, Vapor Pressure, Entropy and Thermodynamic Functions,
J. Am. Chem. Soc. 72, 1950, 4664 1950. [all data]
Scott, Finke, et al., 1950, 2
Scott, D.W.; Finke, H.L.; Hubbard, W.N.; McCullough, J.P.; Gross, M.E.; Williamson, K.D.; Waddington, G.; Huffman, H.M.,
Spiropentane: heat capacity, heats of fusion and vaporization, vapor pressure, entropy and thermodynamic functions,
J. Am. Chem. Soc., 1950, 72, 4664-4668. [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]
Scott, Finke, et al., 1950, 3
Scott, D.W.; Finke, H.L.; Gross, M.E.; Guthrie, G.B.; Huffman, H.M.,
2,3-Dithiabutane: low temperature heat capacity, heat of fusion, heat of vaporization, vapor pressure, entropy and thermodynamic functions,
J. Am. Chem. Soc., 1950, 72, 2424-2430. [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, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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