- InChI
- InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
- InChI Key
- DTFKRVXLBCAIOZ-UHFFFAOYSA-N
- Formula
- C8H10O
- SMILES
- COc1ccccc1C
- Molecular Weight1
- 122.16
- CAS
- 578-58-5
- Other Names
-
- 1-methoxy-2-methylbenzene
- 2-Methoxy toluene
- 2-Methylmethoxybenzene
- 2-methoxymethylbenzene
- 2-methoxytoluene
- 2-methyl-1-methoxybenzene
- 2-methylanisole
- Methyl-o-cresol
- NSC 6253
- anisole, o-methyl-
- methyl 2-tolyl ether
- methyl o-cresyl ether
- methyl o-methylphenyl ether
- methyl o-tolyl ether
- o-Methylanisol
- o-cresol methyl ether
- o-cresyl methyl ether
- o-methoxytoluene
- o-methylanisole
- toluene, o-methoxy-
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- 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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.1965 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| PAff | 850.00 ± 8.00 | kJ/mol | NIST |
| BasG | 818.00 ± 8.00 | kJ/mol | NIST |
| ΔfG° | 14.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -108.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.90; 8.24] | eV |
|
| IE | 7.90 | eV | NIST |
| IE | 8.03 ± 0.02 | eV | NIST |
| IE | 8.10 ± 0.15 | eV | NIST |
| IE | 8.24 | eV | NIST |
| IE | 8.24 | eV | NIST |
| log10WS | -2.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.004 | Crippen Calculated Property | |
| McVol | 105.690 | ml/mol | McGowan Calculated Property |
| Pc | 1291.89 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Inp | [983.00; 1032.00] |
|
|
| Inp | 1005.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1013.50 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | Outlier 1032.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | Outlier 983.00 | NIST | |
| Inp | Outlier 986.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1013.50 | NIST | |
| Ip | [1390.00; 1432.00] |
|
|
| Ip | 1409.00 | NIST | |
| Ip | 1390.00 | NIST | |
| Ip | 1432.00 | NIST | |
| Ip | 1424.00 | NIST | |
| Ip | 1409.00 | NIST | |
| Ip | 1432.00 | NIST | |
| Tboil | [444.20; 557.35] | K |
|
| Tboil | 444.20 | K | NIST |
| Tboil | 445.00 ± 0.50 | K | NIST |
| Tboil | 444.88 ± 0.30 | K | NIST |
| Tboil | 557.35 ± 1.00 | K | NIST |
| Tc | [662.00; 662.00] | K |
|
| Tc | 662.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Tc | 662.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 662.00 ± 0.60 | K | NIST |
| Tfus | [238.97; 239.05] | K |
|
| Tfus | 239.05 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 239.05 ± 0.50 | K | NIST |
| Tfus | 238.97 ± 0.30 | K | NIST |
| Vc | 0.392 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [135.89; 328.99] | 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 | 1.51000e+00 | |||
| Coefficient B | 5.62240e-01 | |||
| Coefficient C | -2.64560e-04 | |||
| Coefficient D | 2.98000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 135.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 198.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 225.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 248.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 270.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 288.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 304.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 317.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 328.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018032; 0.0001692] | Pa×s | [239.02; 463.40] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.12046e+01 | |||
| Coefficient B | 1.16797e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 239.02 | |||
| Temperature range, max. | 463.40 | |||
| η | 0.0018032 | Pa×s | 239.02 | Calculated Property |
| η | 0.0011366 | Pa×s | 263.95 | Calculated Property |
| η | 0.0007758 | Pa×s | 288.88 | Calculated Property |
| η | 0.0005627 | Pa×s | 313.82 | Calculated Property |
| η | 0.0004279 | Pa×s | 338.75 | Calculated Property |
| η | 0.0003378 | Pa×s | 363.68 | Calculated Property |
| η | 0.0002749 | Pa×s | 388.61 | Calculated Property |
| η | 0.0002293 | Pa×s | 413.54 | Calculated Property |
| η | 0.0001953 | Pa×s | 438.47 | Calculated Property |
| η | 0.0001692 | Pa×s | 463.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methoxy-2-methyl-.
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).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
- Joback 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.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.
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.
These property values are available through the Cheméo API. A free account gives you an access key.