- InChI
- InChI=1S/C11H22O4/c1-13-10(12)8-6-4-5-7-9-11(14-2)15-3/h11H,4-9H2,1-3H3
- InChI Key
- BYAKBTBKBLTLPV-UHFFFAOYSA-N
- Formula
- C11H22O4
- SMILES
- COC(=O)CCCCCCC(OC)OC
- Molecular Weight1
- 218.29
- CAS
- 65157-89-3
- 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° | -404.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -784.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.07 | Crippen Calculated Property | |
| logPoct/wat | 2.119 | Crippen Calculated Property | |
| McVol | 185.030 | ml/mol | McGowan Calculated Property |
| Pc | 1968.30 | kPa | Joback Calculated Property |
| Inp | 1601.00 | NIST | |
| Tboil | 571.77 | K | Joback Calculated Property |
| Tc | 744.96 | K | Joback Calculated Property |
| Tfus | 315.35 | K | Joback Calculated Property |
| Vc | 0.706 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.67; 550.81] | J/mol×K | [571.77; 744.96] | 
|
| Cp,gas | 469.67 | J/mol×K | 571.77 | Joback Calculated Property |
| Cp,gas | 484.57 | J/mol×K | 600.63 | Joback Calculated Property |
| Cp,gas | 498.93 | J/mol×K | 629.50 | Joback Calculated Property |
| Cp,gas | 512.74 | J/mol×K | 658.36 | Joback Calculated Property |
| Cp,gas | 526.00 | J/mol×K | 687.23 | Joback Calculated Property |
| Cp,gas | 538.69 | J/mol×K | 716.09 | Joback Calculated Property |
| Cp,gas | 550.81 | J/mol×K | 744.96 | Joback Calculated Property |
| η | [0.0001239; 0.0021183] | Pa×s | [315.35; 571.77] |
|
| η | 0.0021183 | Pa×s | 315.35 | Joback Calculated Property |
| η | 0.0009950 | Pa×s | 358.09 | Joback Calculated Property |
| η | 0.0005491 | Pa×s | 400.82 | Joback Calculated Property |
| η | 0.0003398 | Pa×s | 443.56 | Joback Calculated Property |
| η | 0.0002288 | Pa×s | 486.30 | Joback Calculated Property |
| η | 0.0001642 | Pa×s | 529.03 | Joback Calculated Property |
| η | 0.0001239 | Pa×s | 571.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 6,6-dimethoxy-, methyl ester.
Sources
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