- InChI
- InChI=1S/C11H17NO3/c1-11(2)6-8(13)5-9(7-11)15-10(14)12(3)4/h5H,6-7H2,1-4H3
- InChI Key
- ITEQSCBLCCNACE-UHFFFAOYSA-N
- Formula
- C11H17NO3
- SMILES
- CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1
- Molecular Weight1
- 211.26
- 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).
- 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 | 0.5664 | Relay (1.0) Calculated Property | |
| ΔfG° | -164.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -569.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | [-0.85; -0.85] |
|
|
| log10WS | -0.85 | Aq. Solubility Prediction | |
| log10WS | -0.85 | Estimated Solubility | |
| logPoct/wat | 1.958 | Crippen Calculated Property | |
| McVol | 169.680 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Tboil | 539.23 | K | Relay (1.0) Calculated Property |
| Tc | 752.67 | K | Relay (1.0) Calculated Property |
| Tfus | 318.65 | K | Aq. Solubility Prediction |
| Vc | 0.615 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.60; 541.54] | J/mol×K | [631.56; 854.85] |
|
| Cp,gas | 452.60 | J/mol×K | 631.56 | Joback Calculated Property |
| Cp,gas | 469.31 | J/mol×K | 668.77 | Joback Calculated Property |
| Cp,gas | 485.15 | J/mol×K | 705.99 | Joback Calculated Property |
| Cp,gas | 500.21 | J/mol×K | 743.20 | Joback Calculated Property |
| Cp,gas | 514.58 | J/mol×K | 780.42 | Joback Calculated Property |
| Cp,gas | 528.33 | J/mol×K | 817.63 | Joback Calculated Property |
| Cp,gas | 541.54 | J/mol×K | 854.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to dimetan.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
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