- InChI
- InChI=1S/C9H16O4/c1-6(8(10)12-3)5-7(2)9(11)13-4/h6-7H,5H2,1-4H3
- InChI Key
- LQLYZPTVIYLWPB-UHFFFAOYSA-N
- Formula
- C9H16O4
- SMILES
- COC(=O)C(C)CC(C)C(=O)OC
- Molecular Weight1
- 188.22
- CAS
- 2121-68-8
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.5505 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -844.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.995 | Crippen Calculated Property | |
| McVol | 152.550 | ml/mol | McGowan Calculated Property |
| Pc | 2365.67 | kPa | Joback Calculated Property |
| Tboil | 463.77 | K | Relay (1.0) Calculated Property |
| Tc | 651.74 | K | Relay (1.0) Calculated Property |
| Tfus | 283.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.558 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [359.17; 431.21] | J/mol×K | [521.08; 704.72] | 
|
| Cp,gas | 359.17 | J/mol×K | 521.08 | Joback Calculated Property |
| Cp,gas | 372.66 | J/mol×K | 551.69 | Joback Calculated Property |
| Cp,gas | 385.57 | J/mol×K | 582.29 | Joback Calculated Property |
| Cp,gas | 397.88 | J/mol×K | 612.90 | Joback Calculated Property |
| Cp,gas | 409.59 | J/mol×K | 643.51 | Joback Calculated Property |
| Cp,gas | 420.70 | J/mol×K | 674.12 | Joback Calculated Property |
| Cp,gas | 431.21 | J/mol×K | 704.72 | Joback Calculated Property |
| η | [0.0001610; 0.0121598] | Pa×s | [245.85; 521.08] |
|
| η | 0.0121598 | Pa×s | 245.85 | Joback Calculated Property |
| η | 0.0033557 | Pa×s | 291.72 | Joback Calculated Property |
| η | 0.0013140 | Pa×s | 337.59 | Joback Calculated Property |
| η | 0.0006439 | Pa×s | 383.46 | Joback Calculated Property |
| η | 0.0003675 | Pa×s | 429.34 | Joback Calculated Property |
| η | 0.0002337 | Pa×s | 475.21 | Joback Calculated Property |
| η | 0.0001610 | Pa×s | 521.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanedioic acid, 2,4-dimethyl-, dimethyl ester.
Sources
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