- InChI
- InChI=1S/C10H18O4/c1-4-6-9(14-8(3)11)7-10(12)13-5-2/h9H,4-7H2,1-3H3
- InChI Key
- UYBMIHNGXIOMAW-UHFFFAOYSA-N
- Formula
- C10H18O4
- SMILES
- CCCC(CC(=O)OCC)OC(C)=O
- Molecular Weight1
- 202.25
- CAS
- 21188-61-4
- 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 | 0.6113 | Relay (1.0) Calculated Property | |
| ΔfG° | -589.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -900.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.671 | Crippen Calculated Property | |
| McVol | 166.640 | ml/mol | McGowan Calculated Property |
| Pc | 2143.35 | kPa | Joback Calculated Property |
| Inp | [1245.00; 1266.00] |
|
|
| Inp | 1245.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1266.00 | NIST | |
| I | [1712.00; 1719.00] |
|
|
| I | 1719.00 | NIST | |
| I | 1712.00 | NIST | |
| I | 1712.00 | NIST | |
| I | 1719.00 | NIST | |
| I | 1712.00 | NIST | |
| Tboil | 480.36 | K | Relay (1.0) Calculated Property |
| Tc | 662.57 | K | Relay (1.0) Calculated Property |
| Tfus | 214.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.625 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.60; 480.18] | J/mol×K | [544.40; 722.68] |
|
| Cp,gas | 405.60 | J/mol×K | 544.40 | Joback Calculated Property |
| Cp,gas | 419.56 | J/mol×K | 574.11 | Joback Calculated Property |
| Cp,gas | 432.91 | J/mol×K | 603.83 | Joback Calculated Property |
| Cp,gas | 445.65 | J/mol×K | 633.54 | Joback Calculated Property |
| Cp,gas | 457.78 | J/mol×K | 663.26 | Joback Calculated Property |
| Cp,gas | 469.29 | J/mol×K | 692.97 | Joback Calculated Property |
| Cp,gas | 480.18 | J/mol×K | 722.68 | Joback Calculated Property |
| η | [0.0001523; 0.0068321] | Pa×s | [272.12; 544.40] |
|
| η | 0.0068321 | Pa×s | 272.12 | Joback Calculated Property |
| η | 0.0023042 | Pa×s | 317.50 | Joback Calculated Property |
| η | 0.0010199 | Pa×s | 362.88 | Joback Calculated Property |
| η | 0.0005411 | Pa×s | 408.26 | Joback Calculated Property |
| η | 0.0003259 | Pa×s | 453.64 | Joback Calculated Property |
| η | 0.0002152 | Pa×s | 499.02 | Joback Calculated Property |
| η | 0.0001523 | Pa×s | 544.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 3-acetoxyhexanoate.
Sources
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