- InChI
- InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)
- InChI Key
- CVQODEWAPZVVBU-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- CNC(=O)Oc1cc(C)cc(C)c1
- Molecular Weight1
- 179.22
- CAS
- 2655-14-3
- Other Names
-
- 3,5-Dimethylphenyl N-methylcarbamate
- 3,5-Dimethylphenyl methylcarbamate
- 3,5-Xmc
- 3,5-Xylenol, methylcarbamate
- 3,5-Xylenyl N-methylcarbamate
- 3,5-Xylyl N-methylcarbamate
- 3,5-Xylyl methylcarbamate
- 3,5-Xylylester kyseliny methylkarbaminove
- Carbamic acid, methyl-, 3,5-xylyl ester
- Cosban
- DRC 3340
- H-69
- Macbal
- Maqbarl
- Methylcarbamic acid 3,5-xylyl ester
- NSC 35375
- Phenol, 3,5-dimethyl-, 1-(N-methylcarbamate)
- S 1041
- XMC
- XMC (Pesticide)
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6401 | Relay (1.0) Calculated Property | |
| ΔfG° | -18.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -359.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | [-2.58; -2.58] |
|
|
| log10WS | -2.58 | Aq. Solubility Prediction | |
| log10WS | -2.58 | Estimated Solubility | |
| logPoct/wat | 2.022 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Pc | 3025.61 | kPa | Joback Calculated Property |
| Inp | [1563.00; 1564.00] |
|
|
| Inp | 1564.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Inp | 1564.00 | NIST | |
| I | 2173.00 | NIST | |
| Tboil | 534.46 | K | Relay (1.0) Calculated Property |
| Tc | 770.64 | K | Relay (1.0) Calculated Property |
| Tfus | 333.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.530 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.95; 414.72] | J/mol×K | [591.30; 805.99] |
|
| Cp,gas | 346.95 | J/mol×K | 591.30 | Joback Calculated Property |
| Cp,gas | 360.01 | J/mol×K | 627.08 | Joback Calculated Property |
| Cp,gas | 372.35 | J/mol×K | 662.86 | Joback Calculated Property |
| Cp,gas | 383.98 | J/mol×K | 698.65 | Joback Calculated Property |
| Cp,gas | 394.92 | J/mol×K | 734.43 | Joback Calculated Property |
| Cp,gas | 405.16 | J/mol×K | 770.21 | Joback Calculated Property |
| Cp,gas | 414.72 | J/mol×K | 805.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 3,5-dimethyl-, methylcarbamate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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