- InChI
- InChI=1S/C12H24O3/c1-4-5-6-7-8-12(13)15-10-9-11(2)14-3/h11H,4-10H2,1-3H3
- InChI Key
- LJFXZFKAYHQVRN-UHFFFAOYSA-N
- Formula
- C12H24O3
- SMILES
- CCCCCCC(=O)OCCC(C)OC
- Molecular Weight1
- 216.32
- 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).
- 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° | -291.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -673.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.48 | kJ/mol | Joback Calculated Property |
| log10WS | -2.91 | Crippen Calculated Property | |
| logPoct/wat | 2.925 | Crippen Calculated Property | |
| McVol | 193.250 | ml/mol | McGowan Calculated Property |
| Pc | 1837.26 | kPa | Joback Calculated Property |
| Inp | [1428.00; 1428.00] |
|
|
| Inp | 1428.00 | NIST | |
| Inp | 1428.00 | NIST | |
| Tboil | 572.23 | K | Joback Calculated Property |
| Tc | 744.65 | K | Joback Calculated Property |
| Tfus | 304.39 | K | Joback Calculated Property |
| Vc | 0.744 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.37; 577.91] | J/mol×K | [572.23; 744.65] |
|
| Cp,gas | 492.37 | J/mol×K | 572.23 | Joback Calculated Property |
| Cp,gas | 508.15 | J/mol×K | 600.97 | Joback Calculated Property |
| Cp,gas | 523.31 | J/mol×K | 629.70 | Joback Calculated Property |
| Cp,gas | 537.87 | J/mol×K | 658.44 | Joback Calculated Property |
| Cp,gas | 551.82 | J/mol×K | 687.18 | Joback Calculated Property |
| Cp,gas | 565.17 | J/mol×K | 715.92 | Joback Calculated Property |
| Cp,gas | 577.91 | J/mol×K | 744.65 | Joback Calculated Property |
| η | [0.0001405; 0.0029000] | Pa×s | [304.39; 572.23] |
|
| η | 0.0029000 | Pa×s | 304.39 | Joback Calculated Property |
| η | 0.0012682 | Pa×s | 349.03 | Joback Calculated Property |
| η | 0.0006690 | Pa×s | 393.67 | Joback Calculated Property |
| η | 0.0004020 | Pa×s | 438.31 | Joback Calculated Property |
| η | 0.0002654 | Pa×s | 482.95 | Joback Calculated Property |
| η | 0.0001880 | Pa×s | 527.59 | Joback Calculated Property |
| η | 0.0001405 | Pa×s | 572.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxybutyl heptanoate.
Sources
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