- InChI
- InChI=1S/C13H22O3/c1-5-15-13(14)16-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
- InChI Key
- VHCQYGMNMOULRZ-FMIVXFBMSA-N
- Formula
- C13H22O3
- SMILES
- CCOC(=O)OCC=C(C)CCC=C(C)C
- Molecular Weight1
- 226.31
- 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).
- 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.
- 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° | -137.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.17 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 3.852 | Crippen Calculated Property | |
| McVol | 198.740 | ml/mol | McGowan Calculated Property |
| Pc | 1853.11 | kPa | Joback Calculated Property |
| Inp | [1553.00; 1553.00] |
|
|
| Inp | 1553.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Tboil | 603.63 | K | Joback Calculated Property |
| Tc | 790.05 | K | Joback Calculated Property |
| Tfus | 292.58 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.39; 586.90] | J/mol×K | [603.63; 790.05] |
|
| Cp,gas | 503.39 | J/mol×K | 603.63 | Joback Calculated Property |
| Cp,gas | 519.07 | J/mol×K | 634.70 | Joback Calculated Property |
| Cp,gas | 534.02 | J/mol×K | 665.77 | Joback Calculated Property |
| Cp,gas | 548.25 | J/mol×K | 696.84 | Joback Calculated Property |
| Cp,gas | 561.79 | J/mol×K | 727.91 | Joback Calculated Property |
| Cp,gas | 574.67 | J/mol×K | 758.98 | Joback Calculated Property |
| Cp,gas | 586.90 | J/mol×K | 790.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3,7-Dimethylocta-2,6-dienyl ethyl carbonate.
Sources
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