- InChI
- InChI=1S/C10H18O4/c1-7(6-9(11)13-3)5-8(2)10(12)14-4/h7-8H,5-6H2,1-4H3
- InChI Key
- MMDQWVHEMWGZQW-UHFFFAOYSA-N
- Formula
- C10H18O4
- SMILES
- COC(=O)CC(C)CC(C)C(=O)OC
- Molecular Weight1
- 202.25
- CAS
- 85547-49-5
- Other Names
-
- 2,4-Dimethyl-hexanedioic acid dimethyl ester
- 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).
- 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 | 0.5879 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -870.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.385 | Crippen Calculated Property | |
| McVol | 166.640 | ml/mol | McGowan Calculated Property |
| Pc | 2159.31 | kPa | Joback Calculated Property |
| Inp | [1272.00; 1272.00] |
|
|
| Inp | 1272.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Tboil | 476.82 | K | Relay (1.0) Calculated Property |
| Tc | 672.44 | K | Relay (1.0) Calculated Property |
| Tfus | 235.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.604 | 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 | [405.90; 481.99] | J/mol×K | [543.96; 725.70] |
|
| Cp,gas | 405.90 | J/mol×K | 543.96 | Joback Calculated Property |
| Cp,gas | 420.19 | J/mol×K | 574.25 | Joback Calculated Property |
| Cp,gas | 433.84 | J/mol×K | 604.54 | Joback Calculated Property |
| Cp,gas | 446.85 | J/mol×K | 634.83 | Joback Calculated Property |
| Cp,gas | 459.21 | J/mol×K | 665.12 | Joback Calculated Property |
| Cp,gas | 470.92 | J/mol×K | 695.41 | Joback Calculated Property |
| Cp,gas | 481.99 | J/mol×K | 725.70 | Joback Calculated Property |
| η | [0.0001433; 0.0107870] | Pa×s | [257.12; 543.96] |
|
| η | 0.0107870 | Pa×s | 257.12 | Joback Calculated Property |
| η | 0.0029847 | Pa×s | 304.93 | Joback Calculated Property |
| η | 0.0011699 | Pa×s | 352.73 | Joback Calculated Property |
| η | 0.0005735 | Pa×s | 400.54 | Joback Calculated Property |
| η | 0.0003273 | Pa×s | 448.35 | Joback Calculated Property |
| η | 0.0002081 | Pa×s | 496.15 | Joback Calculated Property |
| η | 0.0001433 | Pa×s | 543.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2R,4S)-2,4-Dimethyladipic acid dimethyl ester.
Sources
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