- InChI
- InChI=1S/C12H24O3/c1-4-5-6-7-8-9-12(14)15-11(3)10(2)13/h10-11,13H,4-9H2,1-3H3
- InChI Key
- HPHHIFUXVYBQOZ-UHFFFAOYSA-N
- Formula
- C12H24O3
- SMILES
- CCCCCCCC(=O)OC(C)C(C)O
- Molecular Weight1
- 216.32
- 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.
- 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 | 0.7984 | Relay (1.0) Calculated Property | |
| ΔfG° | -325.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -806.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.659 | Crippen Calculated Property | |
| McVol | 193.250 | ml/mol | McGowan Calculated Property |
| Pc | 2036.39 | kPa | Joback Calculated Property |
| Inp | [1473.00; 1473.00] |
|
|
| Inp | 1473.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Tboil | 524.56 | K | Relay (1.0) Calculated Property |
| Tc | 706.38 | K | Relay (1.0) Calculated Property |
| Tfus | 297.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.735 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [531.05; 606.44] | J/mol×K | [641.55; 812.55] |
|
| Cp,gas | 531.05 | J/mol×K | 641.55 | Joback Calculated Property |
| Cp,gas | 545.13 | J/mol×K | 670.05 | Joback Calculated Property |
| Cp,gas | 558.59 | J/mol×K | 698.55 | Joback Calculated Property |
| Cp,gas | 571.44 | J/mol×K | 727.05 | Joback Calculated Property |
| Cp,gas | 583.69 | J/mol×K | 755.55 | Joback Calculated Property |
| Cp,gas | 595.36 | J/mol×K | 784.05 | Joback Calculated Property |
| Cp,gas | 606.44 | J/mol×K | 812.55 | Joback Calculated Property |
| η | [0.0000464; 0.0099801] | Pa×s | [327.98; 641.55] |
|
| η | 0.0099801 | Pa×s | 327.98 | Joback Calculated Property |
| η | 0.0022042 | Pa×s | 380.24 | Joback Calculated Property |
| η | 0.0007012 | Pa×s | 432.50 | Joback Calculated Property |
| η | 0.0002856 | Pa×s | 484.76 | Joback Calculated Property |
| η | 0.0001385 | Pa×s | 537.03 | Joback Calculated Property |
| η | 0.0000764 | Pa×s | 589.29 | Joback Calculated Property |
| η | 0.0000464 | Pa×s | 641.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetoin octanoate #2.
Sources
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