- 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-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-
- 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.
- I : 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| 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 | -115.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.75 | kJ/mol | Joback 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 | -2.07 | Crippen Calculated Property | |
| logPoct/wat | 2.004 | Crippen Calculated Property | |
| McVol | 105.690 | ml/mol | McGowan Calculated Property |
| Pc | 3513.74 | kPa | Joback Calculated Property |
| 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 | |
| I | [1390.00; 1432.00] |
|
|
| I | 1409.00 | NIST | |
| I | 1390.00 | NIST | |
| I | 1432.00 | NIST | |
| I | 1424.00 | NIST | |
| I | 1409.00 | NIST | |
| I | 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 ± 0.60 | K | NIST |
| Tfus | [238.97; 239.05] | K |
|
| Tfus | 239.05 ± 0.50 | K | NIST |
| Tfus | 238.97 ± 0.30 | K | NIST |
| Vc | 0.394 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.01; 262.44] | J/mol×K | [436.52; 646.36] |
|
| Cp,gas | 199.01 | J/mol×K | 436.52 | Joback Calculated Property |
| Cp,gas | 210.91 | J/mol×K | 471.49 | Joback Calculated Property |
| Cp,gas | 222.27 | J/mol×K | 506.47 | Joback Calculated Property |
| Cp,gas | 233.10 | J/mol×K | 541.44 | Joback Calculated Property |
| Cp,gas | 243.40 | J/mol×K | 576.41 | Joback Calculated Property |
| Cp,gas | 253.17 | J/mol×K | 611.38 | Joback Calculated Property |
| Cp,gas | 262.44 | J/mol×K | 646.36 | Joback Calculated Property |
| η | [0.0001977; 0.0017292] | Pa×s | [241.09; 436.52] |
|
| η | 0.0017292 | Pa×s | 241.09 | Joback Calculated Property |
| η | 0.0009715 | Pa×s | 273.66 | Joback Calculated Property |
| η | 0.0006170 | Pa×s | 306.23 | Joback Calculated Property |
| η | 0.0004276 | Pa×s | 338.81 | Joback Calculated Property |
| η | 0.0003160 | Pa×s | 371.38 | Joback Calculated Property |
| η | 0.0002453 | Pa×s | 403.95 | Joback Calculated Property |
| η | 0.0001977 | Pa×s | 436.52 | Joback Calculated Property |
| Pvap | [0.04; 0.35] | kPa | [275.80; 308.00] |
|
| Pvap | 0.04 | kPa | 275.80 | Benchma... |
| Pvap | 0.04 | kPa | 277.70 | Benchma... |
| Pvap | 0.04 | kPa | 278.70 | Benchma... |
| Pvap | 0.05 | kPa | 280.60 | Benchma... |
| Pvap | 0.06 | kPa | 282.60 | Benchma... |
| Pvap | 0.07 | kPa | 285.70 | Benchma... |
| Pvap | 0.08 | kPa | 286.80 | Benchma... |
| Pvap | 0.10 | kPa | 290.20 | Benchma... |
| Pvap | 0.13 | kPa | 293.40 | Benchma... |
| Pvap | 0.16 | kPa | 296.20 | Benchma... |
| Pvap | 0.18 | kPa | 298.20 | Benchma... |
| Pvap | 0.21 | kPa | 300.20 | Benchma... |
| Pvap | 0.21 | kPa | 300.20 | Benchma... |
| Pvap | 0.26 | kPa | 303.30 | Benchma... |
| Pvap | 0.29 | kPa | 305.10 | Benchma... |
| Pvap | 0.35 | kPa | 308.00 | Benchma... |
Similar Compounds
Find more compounds similar to Benzene, 1-methoxy-2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study
- Joback Method
- McGowan Method
- NIST Webbook
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