- InChI
- InChI=1S/C9H16O3/c1-3-4-5-6-7-8(10)9(11)12-2/h3-7H2,1-2H3
- InChI Key
- JCVKROPMQGWQGA-UHFFFAOYSA-N
- Formula
- C9H16O3
- SMILES
- CCCCCCC(=O)C(=O)OC
- Molecular Weight1
- 172.22
- 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° | -337.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.53 | 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 | 2568.89 | kPa | Joback Calculated Property |
| Inp | [1195.00; 1200.00] |
|
|
| Inp | 1200.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Tboil | 535.48 | K | Joback Calculated Property |
| Tc | 718.27 | K | Joback Calculated Property |
| Tfus | 313.28 | K | Joback Calculated Property |
| Vc | 0.570 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.51; 410.97] | J/mol×K | [535.48; 718.27] |
|
| Cp,gas | 343.51 | J/mol×K | 535.48 | Joback Calculated Property |
| Cp,gas | 356.03 | J/mol×K | 565.94 | Joback Calculated Property |
| Cp,gas | 368.04 | J/mol×K | 596.41 | Joback Calculated Property |
| Cp,gas | 379.53 | J/mol×K | 626.87 | Joback Calculated Property |
| Cp,gas | 390.51 | J/mol×K | 657.34 | Joback Calculated Property |
| Cp,gas | 400.99 | J/mol×K | 687.80 | Joback Calculated Property |
| Cp,gas | 410.97 | J/mol×K | 718.27 | Joback Calculated Property |
| η | [0.0002580; 0.0026992] | Pa×s | [313.28; 535.48] |
|
| η | 0.0026992 | Pa×s | 313.28 | Joback Calculated Property |
| η | 0.0014842 | Pa×s | 350.31 | Joback Calculated Property |
| η | 0.0009150 | Pa×s | 387.35 | Joback Calculated Property |
| η | 0.0006138 | Pa×s | 424.38 | Joback Calculated Property |
| η | 0.0004390 | Pa×s | 461.41 | Joback Calculated Property |
| η | 0.0003300 | Pa×s | 498.45 | Joback Calculated Property |
| η | 0.0002580 | Pa×s | 535.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Keto-octanoic acid, methyl ester.
Sources
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