- InChI
- InChI=1S/C9H16O3/c1-12-9(11)7-5-3-2-4-6-8-10/h8H,2-7H2,1H3
- InChI Key
- HVAXGLYKECRETN-UHFFFAOYSA-N
- Formula
- C9H16O3
- SMILES
- COC(=O)CCCCCCC=O
- Molecular Weight1
- 172.22
- CAS
- 4316-48-7
- 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° | -308.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -559.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.50 | kJ/mol | Joback Calculated Property |
| log10WS | -1.73 | Crippen Calculated Property | |
| logPoct/wat | 1.699 | Crippen Calculated Property | |
| McVol | 146.680 | ml/mol | McGowan Calculated Property |
| Pc | 2597.78 | kPa | Joback Calculated Property |
| Inp | 1334.00 | NIST | |
| Tboil | 530.27 | K | Joback Calculated Property |
| Tc | 708.91 | K | Joback Calculated Property |
| Tfus | 305.35 | K | Joback Calculated Property |
| Vc | 0.581 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.42; 410.35] | J/mol×K | [530.27; 708.91] | 
|
| Cp,gas | 344.42 | J/mol×K | 530.27 | Joback Calculated Property |
| Cp,gas | 356.63 | J/mol×K | 560.04 | Joback Calculated Property |
| Cp,gas | 368.34 | J/mol×K | 589.82 | Joback Calculated Property |
| Cp,gas | 379.56 | J/mol×K | 619.59 | Joback Calculated Property |
| Cp,gas | 390.30 | J/mol×K | 649.36 | Joback Calculated Property |
| Cp,gas | 400.56 | J/mol×K | 679.14 | Joback Calculated Property |
| Cp,gas | 410.35 | J/mol×K | 708.91 | Joback Calculated Property |
| η | [0.0002819; 0.0030694] | Pa×s | [305.35; 530.27] |
|
| η | 0.0030694 | Pa×s | 305.35 | Joback Calculated Property |
| η | 0.0016586 | Pa×s | 342.84 | Joback Calculated Property |
| η | 0.0010119 | Pa×s | 380.32 | Joback Calculated Property |
| η | 0.0006746 | Pa×s | 417.81 | Joback Calculated Property |
| η | 0.0004808 | Pa×s | 455.30 | Joback Calculated Property |
| η | 0.0003608 | Pa×s | 492.78 | Joback Calculated Property |
| η | 0.0002819 | Pa×s | 530.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 8-oxooctanoate.
Sources
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