- InChI
- InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
- InChI Key
- OSIGJGFTADMDOB-UHFFFAOYSA-N
- Formula
- C8H10O
- SMILES
- COc1cccc(C)c1
- Molecular Weight1
- 122.16
- CAS
- 100-84-5
- Other Names
-
- 1-Methyl-3-methoxybenzene
- 1-methoxy-3-methylbenzene
- 3-Methyl-1-methoxybenzene
- 3-Methylmethoxybenzene
- 3-methoxymethylbenzene
- 3-methoxytoluene
- 3-methylanisole
- Methyl 3-methylphenyl ether
- Methyl m-cresyl ether
- NSC 6255
- anisole, m-methyl-
- m-cresol methyl ether
- m-cresyl methyl ether
- m-methoxytoluene
- m-methylanisole
- methyl 3-tolyl ether
- methyl m-tolyl ether
- toluene, 3-methoxy-
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (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).
- ΔfH°liquid : Liquid phase 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 | 860.00 ± 8.00 | kJ/mol | NIST |
| BasG | 828.00 ± 8.00 | kJ/mol | NIST |
| ΔcH°liquid | -4421.90 | kJ/mol | NIST |
| ΔfG° | 14.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -115.61 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -155.40 | kJ/mol | NIST |
| ΔfusH° | 11.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.75 | kJ/mol | Joback Calculated Property |
| IE | [8.00; 8.40] | eV |
|
| IE | 8.00 | eV | NIST |
| IE | 8.40 ± 0.10 | eV | NIST |
| IE | 8.31 ± 0.05 | eV | NIST |
| IE | 8.10 ± 0.15 | eV | NIST |
| IE | 8.28 | 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 | [986.00; 1036.00] |
|
|
| Inp | 1020.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Inp | 1029.60 | NIST | |
| Inp | 999.10 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 986.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1020.00 | NIST | |
| I | [1426.00; 1441.00] |
|
|
| I | 1426.00 | NIST | |
| I | 1430.00 | NIST | |
| I | 1441.00 | NIST | |
| Tboil | [448.50; 449.90] | K |
|
| Tboil | 448.70 | K | NIST |
| Tboil | 448.50 ± 0.50 | K | NIST |
| Tboil | 449.70 ± 0.50 | K | NIST |
| Tboil | 449.59 ± 0.20 | K | NIST |
| Tboil | 449.90 ± 0.50 | K | NIST |
| Tc | 665.30 ± 0.60 | K | NIST |
| Tfus | [217.23; 217.90] | K |
|
| Tfus | 217.23 ± 0.40 | K | NIST |
| Tfus | 217.90 ± 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 | [0.03; 0.41] | kPa | [276.70; 312.20] |
|
| Pvap | 0.03 | kPa | 276.70 | Benchma... |
| Pvap | 0.03 | kPa | 277.80 | Benchma... |
| Pvap | 0.04 | kPa | 280.60 | Benchma... |
| Pvap | 0.05 | kPa | 284.70 | Benchma... |
| Pvap | 0.08 | kPa | 289.40 | Benchma... |
| Pvap | 0.09 | kPa | 291.90 | Benchma... |
| Pvap | 0.14 | kPa | 297.70 | Benchma... |
| Pvap | 0.18 | kPa | 301.10 | Benchma... |
| Pvap | 0.23 | kPa | 304.10 | Benchma... |
| Pvap | 0.24 | kPa | 305.00 | Benchma... |
| Pvap | 0.30 | kPa | 308.00 | Benchma... |
| Pvap | 0.34 | kPa | 310.00 | Benchma... |
| Pvap | 0.41 | kPa | 312.20 | Benchma... |
Similar Compounds
Find more compounds similar to Benzene, 1-methoxy-3-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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