- InChI
- InChI=1S/C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)
- InChI Key
- WCJYTPVNMWIZCG-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- CNC(=O)Oc1ccc(C)c(C)c1
- Molecular Weight1
- 179.22
- CAS
- 2425-10-7
- Other Names
-
- Xylylcarb
- Carbamic acid, methyl-, 3,4-xylyl ester
- Meobal
- MPMC
- V 17004
- 3,4-Dimethylphenyl methylcarbamate
- 3,4-Dimethylphenyl N-methylcarbamate
- 3,4-Xylyl methylcarbamate
- 3,4-Xylyl N-methylcarbamate
- Carbamic acid, N-methyl-, (3,4-dimethylphenyl) ester
- Methylcarbamic acid 3,4-xylyl ester
- S-1042
- Xylecarb
- 3,4-Xylylester kyseliny methylkarbaminove
- Carbamic acid, 3,4-dimethylphenyl ester, N-methyl
- Phenol, 3,4-dimethyl-, 1-(N-methylcarbamate)
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | -18.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.05 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.022 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Pc | 3025.61 | kPa | Joback Calculated Property |
| Inp | [1536.00; 1543.00] |
|
|
| Inp | 1536.00 | NIST | |
| Inp | 1543.00 | NIST | |
| I | [2132.00; 2132.00] |
|
|
| I | 2132.00 | NIST | |
| I | 2132.00 | NIST | |
| Tboil | 591.30 | K | Joback Calculated Property |
| Tc | 805.99 | K | Joback Calculated Property |
| Tfus | 351.37 ± 0.20 | K | NIST |
| Vc | 0.546 | m3/kmol | Joback 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 |
| ΔfusH | [24.97; 24.97] | kJ/mol | [350.80; 350.80] |
|
| ΔfusH | 24.97 | kJ/mol | 350.80 | NIST |
| ΔfusH | 24.97 | kJ/mol | 350.80 | NIST |
Similar Compounds
Find more compounds similar to Phenol, 3,4-dimethyl-, methylcarbamate.
Sources
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