Benzene, 1-methoxy-3-methyl-
- Formula: C8H10O
- Molecular weight: 122.1644
- IUPAC Standard InChI: InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
- IUPAC Standard InChIKey: OSIGJGFTADMDOB-UHFFFAOYSA-N
- CAS Registry Number: 100-84-5
- 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: Anisole, m-methyl-; m-Cresol methyl ether; m-Methoxytoluene; m-Methylanisole; Methyl m-tolyl ether; 1-Methoxy-3-methylbenzene; 3-Methoxytoluene; 3-Methylanisole; m-Cresyl methyl ether; Methyl m-cresyl ether; Methyl 3-methylphenyl ether; 1-Methyl-3-methoxybenzene; 3-Methylmethoxybenzene; 3-Methyl-1-methoxybenzene; NSC 6255
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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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 53.59 | 100. | Sharma S.N., 1982 | Estimations by difference method [ Dorofeeva O.V., 1997] have reason to suppose that Cp(298.15 K) and S(298.15 K) values obtained by [83SHA3] may be underestimated by 10-25 J/mol*K. |
| 97.79 | 200. | ||
| 142.89 | 300. | ||
| 187.09 | 400. | ||
| 225.82 | 500. | ||
| 258.03 | 600. | ||
| 284.64 | 700. | ||
| 306.81 | 800. | ||
| 325.43 | 900. | ||
| 341.19 | 1000. | ||
| 354.60 | 1100. | ||
| 366.05 | 1200. | ||
| 375.87 | 1300. | ||
| 384.32 | 1400. | ||
| 391.62 | 1500. | ||
| 397.96 | 1600. | ||
| 403.47 | 1700. | ||
| 408.30 | 1800. | ||
| 412.53 | 1900. | ||
| 416.27 | 2000. |
Condensed phase thermochemistry data
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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°liquid | -155.4 | kJ/mol | Ccb | Badoche, 1941 | Author's hf298_condensed=-40.25 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4421.90 | kJ/mol | Ccb | Badoche, 1941 | Author's hf298_condensed=-40.25 kcal/mol; Corresponding ΔfHºliquid = -155.3 kJ/mol (simple calculation by NIST; no Washburn corrections) |
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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 448.7 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 448. to 449. | K | N/A | Frinton Laboratories Inc., 1986 | BS |
| Tboil | 449.7 | K | N/A | Olson, Hipsher, et al., 1947 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Tboil | 449.59 | K | N/A | Boord, Greenlee, et al., 1945 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Tboil | 449.9 | K | N/A | Perkin, 1896 | Uncertainty assigned by TRC = 0.5 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 217.23 | K | N/A | Olson, Hipsher, et al., 1947 | Uncertainty assigned by TRC = 0.4 K; TRC |
| Tfus | 217.9 | K | N/A | Boord, Greenlee, et al., 1945 | Uncertainty assigned by TRC = 0.3 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tc | 665.3 | K | N/A | Young, 1994 | Uncertainty assigned by TRC = 0.6 K; TRC |
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.
Sharma S.N., 1982
Sharma S.N.,
Infrared and laser Raman spectra of m- and p-methylanisoles,
Acta Phys. Pol., 1982, A62, 449-456. [all data]
Dorofeeva O.V., 1997
Dorofeeva O.V.,
Unpublished results. Thermocenter of Russian Academy of Science, Moscow, 1997. [all data]
Badoche, 1941
Badoche, M.,
No 19. - Chaleurs de combustion du phenol, du-m-cresol et del leurs ethers; par M. Marius BADOCHE.,
Bull. Soc. Chim. Fr., 1941, 8, 212-220. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]
Olson, Hipsher, et al., 1947
Olson, W.T.; Hipsher, H.F.; Buess, C.M.; Goodman, I.A.; Hart, I.; Lamneck, J.H.; Gibbons, L.C.,
The Synthesis and Purification of Ethers,
J. Am. Chem. Soc., 1947, 69, 2451-4. [all data]
Boord, Greenlee, et al., 1945
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L.,
, Am. Pet. Inst. Res. Proj. 45, Seventh Annu. Rep., Ohio State Univ., June 30, 1945. [all data]
Perkin, 1896
Perkin, W.H.,
LXIX. On Magnetic Rotatory Power, especially of Aromatic Compounds,
J. Chem. Soc., 1896, 69, 1025-1257. [all data]
Young, 1994
Young, C.L.,
Personal Commun. 1994 1994, 1994. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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