methan(2H)ol
- Formula: CH3DO
- Molecular weight: 33.0480
- CAS Registry Number: 1455-13-6
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Vibrational and/or electronic energy levels, 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: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 19.8 | 298.15 | Filatov and Afanas'ev, 1992 | |
| 19.04 | 270. | Staveley and Gupta, 1949 | T = 90 to 270 K. |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Vibrational and/or electronic energy levels, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Ttriple | 173.52 | K | N/A | Staveley and Gupta, 1949 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.08 K; TRC |
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 0.1558 | 161.1 | crystaline, II | crystaline, I | Staveley and Gupta, 1949 | DH |
| 0.7261 | 173.5 | crystaline, I | liquid | Staveley and Gupta, 1949 | DH |
Entropy of phase transition
| ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 0.968 | 161.1 | crystaline, II | crystaline, I | Staveley and Gupta, 1949 | DH |
| 4.185 | 173.5 | crystaline, I | liquid | Staveley and Gupta, 1949 | DH |
Vibrational and/or electronic energy levels
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: Takehiko Shimanouchi
Gas Symmetry: Cs Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a' | 1 | OD str | 2718 | A | 2718 M | gas | ||||
| a' | 2 | CH3 d-str | 3000 | C | 3000 M | gas | SF(ν2 )of 3) | |||
| a' | 3 | CH3 s-str | 2843 | A | 2843 S | gas | ||||
| a' | 4 | CH3 d-deform | 1473 | B | 1473 M | gas | OV(ν10) | |||
| a' | 5 | CH3 s-deform | 1456 | A | 1456 M | gas | ||||
| a' | 6 | OD bend | 864 | A | 864 S | gas | ||||
| a' | 7 | CH3 rock | 1230 | B | 1230 W | gas | ||||
| a' | 8 | CO str | 1040 | A | 1040 VS | gas | ||||
| a | 9 | CH3 d-str | 2960 | C | 2960 S | gas | SF(ν9 )of 3) | |||
| a | 10 | CH3 d-deform | 1473 | B | 1473 M | gas | OV(ν4) | |||
| a | 11 | CH3 rock | 1160 | C | 1160 VW | gas | ||||
| a | 12 | Torsion | 213 | E | CF | |||||
Source: Shimanouchi, 1972
Liquid Symmetry: Cs Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a' | 1 | OD str | 2467 | D | 2467 vb | liq. | 2420-2560 | liq. | ||
| a' | 2 | CH3 d-str | 2978 | M | 2978 M | liq. | 2992 | liq. | ||
| a' | 3 | CH3 s-str | 2838 | C | 2838 S | liq. | 2834 | liq. | ||
| a' | 4 | CH3 d-deform | 1469 | C | 1469 M | liq. | 1463 | liq. | OV(ν10) | |
| a' | 5 | CH3 s-deform | 1449 | C | 1449 M | liq. | ||||
| a' | 6 | OD bend | 940 | C | 940 M b | liq. | 955 | liq. | ||
| a' | 7 | CH3 rock | 1231 | C | 1231 W | liq. | 1226 | liq. | ||
| a' | 8 | CO str | 1038 | C | 1038 VS | liq. | 1029 | liq. | ||
| a | 9 | CH3 d-str | 2951 | C | 2951 S | liq. | 2943 | liq. | ||
| a | 10 | CH3 d-deform | 1469 | C | 1469 M | liq. | 1463 | liq. | OV(ν4) | |
| a | 11 | CH3 rock | 1163 | C | 1163 | liq. | ||||
| a | 12 | Torsion | 475 | D | 475 vb | liq. | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| b | Broad |
| vb | Very broad |
| CF | Calculated frequency |
| SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses. |
| OV | Overlapped by band indicated in parentheses. |
| A | 0~1 cm-1 uncertainty |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
| E | 15~30 cm-1 uncertainty |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Filatov and Afanas'ev, 1992
Filatov, V.A.; Afanas'ev, V.N.,
Differential heat-flux calorimeter, Izv. Vysshikh. Uchebn. Zaved.,
Khim. Khim. Tekhnol., 1992, 35(8), 97-100. [all data]
Staveley and Gupta, 1949
Staveley, L.A.K.; Gupta, A.K.,
A semi-micro low-temperature calorimeter, and a comparison of some thermodynamic properties of methyl alcohol and methyl deuteroxide,
Trans. Faraday Soc., 1949, 45, 50-61. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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