- InChI
- InChI=1S/C11H20O4/c1-4-5-6-10(15-9(2)12)7-8-11(13)14-3/h10H,4-8H2,1-3H3
- InChI Key
- USUFETQYKYBUHJ-UHFFFAOYSA-N
- Formula
- C11H20O4
- SMILES
- CCCCC(CCC(=O)OC)OC(C)=O
- Molecular Weight1
- 216.27
- ω : Acentric Factor.
- 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).
- 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 | 0.6567 | Relay (1.0) Calculated Property | |
| ΔfG° | -428.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -891.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.062 | Crippen Calculated Property | |
| McVol | 180.730 | ml/mol | McGowan Calculated Property |
| Pc | 2115.83 | kPa | Joback Calculated Property |
| Inp | [1377.00; 1381.00] |
|
|
| Inp | 1377.00 | NIST | |
| Inp | 1379.00 | NIST | |
| Inp | 1381.00 | NIST | |
| Inp | 1379.00 | NIST | |
| Inp | 1379.00 | NIST | |
| Inp | 1377.00 | NIST | |
| I | [1855.00; 1892.00] |
|
|
| I | 1892.00 | NIST | |
| I | 1855.00 | NIST | |
| I | 1855.00 | NIST | |
| Tboil | 513.83 | K | Relay (1.0) Calculated Property |
| Tc | 678.39 | K | Relay (1.0) Calculated Property |
| Tfus | 228.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.672 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [465.43; 541.38] | J/mol×K | [603.22; 784.89] |
|
| Cp,gas | 465.43 | J/mol×K | 603.22 | Joback Calculated Property |
| Cp,gas | 479.63 | J/mol×K | 633.50 | Joback Calculated Property |
| Cp,gas | 493.21 | J/mol×K | 663.78 | Joback Calculated Property |
| Cp,gas | 506.18 | J/mol×K | 694.06 | Joback Calculated Property |
| Cp,gas | 518.53 | J/mol×K | 724.34 | Joback Calculated Property |
| Cp,gas | 530.27 | J/mol×K | 754.61 | Joback Calculated Property |
| Cp,gas | 541.38 | J/mol×K | 784.89 | Joback Calculated Property |
| η | [0.0001589; 0.0022861] | Pa×s | [343.05; 603.22] |
|
| η | 0.0022861 | Pa×s | 343.05 | Joback Calculated Property |
| η | 0.0011425 | Pa×s | 386.41 | Joback Calculated Property |
| η | 0.0006567 | Pa×s | 429.77 | Joback Calculated Property |
| η | 0.0004178 | Pa×s | 473.13 | Joback Calculated Property |
| η | 0.0002868 | Pa×s | 516.50 | Joback Calculated Property |
| η | 0.0002087 | Pa×s | 559.86 | Joback Calculated Property |
| η | 0.0001589 | Pa×s | 603.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to methyl 4-acetoxyoctanoate.
Sources
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