- InChI
- InChI=1S/C9H16O4/c1-7(13-8(2)10)5-4-6-9(11)12-3/h7H,4-6H2,1-3H3
- InChI Key
- XZGQJRXRXRYNRI-UHFFFAOYSA-N
- Formula
- C9H16O4
- SMILES
- COC(=O)CCCC(C)OC(C)=O
- Molecular Weight1
- 188.22
- CAS
- 35234-22-1
- Other Names
-
- Methyl hexanoate, 5-acetoxy
- 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 | 0.5987 | Relay (... Calculated Property | |
| ΔfG° | -445.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -865.69 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.99 | kJ/mol | Relay (... Calculated Property |
| IE | 9.77 | eV | Relay (... Calculated Property |
| log10WS | -1.14 | Relay (... Calculated Property | |
| logPoct/wat | 1.281 | Crippen Calculated Property | |
| McVol | 152.550 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | [1220.00; 1228.00] |
|
|
| Inp | 1220.00 | NIST | |
| Inp | 1226.00 | NIST | |
| Inp | 1228.00 | NIST | |
| Inp | 1228.00 | NIST | |
| I | [1759.00; 1766.00] |
|
|
| I | 1766.00 | NIST | |
| I | 1759.00 | NIST | |
| I | 1759.00 | NIST | |
| Tboil | 492.43 | K | Relay (... Calculated Property |
| Tc | 654.71 | K | Relay (... Calculated Property |
| Tfus | 241.95 | K | Relay (... Calculated Property |
| Vc | 0.574 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.40; 436.72] | J/mol×K | [557.46; 742.78] |
|
| Cp,gas | 368.40 | J/mol×K | 557.46 | Joback Calculated Property |
| Cp,gas | 381.08 | J/mol×K | 588.35 | Joback Calculated Property |
| Cp,gas | 393.25 | J/mol×K | 619.23 | Joback Calculated Property |
| Cp,gas | 404.90 | J/mol×K | 650.12 | Joback Calculated Property |
| Cp,gas | 416.03 | J/mol×K | 681.01 | Joback Calculated Property |
| Cp,gas | 426.64 | J/mol×K | 711.90 | Joback Calculated Property |
| Cp,gas | 436.72 | J/mol×K | 742.78 | Joback Calculated Property |
| η | [0.0001960; 0.0025423] | Pa×s | [320.51; 557.46] |
|
| η | 0.0025423 | Pa×s | 320.51 | Joback Calculated Property |
| η | 0.0013123 | Pa×s | 360.00 | Joback Calculated Property |
| η | 0.0007719 | Pa×s | 399.49 | Joback Calculated Property |
| η | 0.0004996 | Pa×s | 438.99 | Joback Calculated Property |
| η | 0.0003474 | Pa×s | 478.48 | Joback Calculated Property |
| η | 0.0002553 | Pa×s | 517.97 | Joback Calculated Property |
| η | 0.0001960 | Pa×s | 557.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to methyl 5-acetoxyhexanoate.
Sources
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