- InChI
- InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
- InChI Key
- GNXFOGHNGIVQEH-UHFFFAOYSA-N
- Formula
- C11H15NO5
- SMILES
- COc1ccccc1OCC(O)COC(=N)O
- Molecular Weight1
- 241.24
- CAS
- 532-03-6
- Other Names
-
- 1,2-Propanediol, 3-(2-methoxyphenoxy)-, 1-carbamate
- 1,2-Propanediol, 3-(o-methoxyphenoxy)-, 1-carbamate
- 2-Hydroxy-3-(o-methoxyphenoxy)propyl 1-carbamate
- 2-Hydroxy-3-(o-methoxyphenoxy)propyl carbamate
- 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate
- 3-(2-Methoxyphenoxy)-1-glyceryl carbamate
- 3-(o-Methoxyphenoxy)-1,2-propanediol 1-carbamate
- 3-(o-Methoxyphenoxy)-2-hydroxypropyl carbamate
- 3-O-(2-Methoxyphenyl)-1-glyceryl carbamate
- AHR 85
- Avetil
- Carbamic acid, 2-hydroxy-3-(o-methoxyphenoxy)propyl ester
- Delaxin
- Etroflex
- Glycerylguaiacolate Carbamate
- Glycerylguajacol-Carbamat
- Guaiacol glyceryl ether carbamate
- Guaiphenesin carbamate
- Guaiphenesine carbamate
- Guiacol-gliceriletere monocarbammato
- Lumirelax
- Methocal
- Metocarbamol
- Metocarbamolo
- Metofenia
- Metofenina
- Miolaxene
- Miorilas
- Miowas
- Myolaxene
- NSC 170960
- Neuraxin
- Parabaxin
- Perilax
- Reflexyn
- Relax
- Relestrid
- Robamol
- Robaxan
- Robaxin
- Robaxine
- Robaxon
- Robinax
- Romethocarb
- Surquetil
- Traumacut
- Tresortil
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 38.60 | kJ/mol | Study of Glass Transition Phenomena in the Supercooled Liquid Phase of Methocarbamol, Acetaminophen and Mephensin |
| ΔvapH° | 121.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | [-1.13; -0.98] |
|
|
| log10WS | -1.13 | Aq. Solubility Prediction | |
| log10WS | -0.98 | Estimated Solubility | |
| logPoct/wat | 0.944 | Crippen Calculated Property | |
| McVol | 177.120 | ml/mol | McGowan Calculated Property |
| Tboil | 625.68 | K | Relay (1.0) Calculated Property |
| Tfus | 366.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.96; 567.72] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.71820e+01 | |||
| Coefficient B | 9.03600e-01 | |||
| Coefficient C | -3.93360e-04 | |||
| Coefficient D | 2.03000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 254.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 308.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 357.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 401.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 440.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 474.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 504.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 530.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 551.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 567.72 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Methocarbamol.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Study of Glass Transition Phenomena in the Supercooled Liquid Phase of Methocarbamol, Acetaminophen and Mephensin
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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