- 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
- 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° | -439.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -749.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.39 | kJ/mol | Joback Calculated Property |
| log10WS | -1.25 | Crippen Calculated Property | |
| logPoct/wat | 1.385 | Crippen Calculated Property | |
| McVol | 166.640 | ml/mol | McGowan Calculated Property |
| Pc | 2333.78 | kPa | Joback Calculated Property |
| Inp | [1272.00; 1272.00] |
|
|
| Inp | 1272.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Tboil | 579.90 | K | Joback Calculated Property |
| Tc | 766.72 | K | Joback Calculated Property |
| Tfus | 316.78 | K | Joback Calculated Property |
| Vc | 0.631 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.45; 490.22] | J/mol×K | [579.90; 766.72] |
|
| Cp,gas | 416.45 | J/mol×K | 579.90 | Joback Calculated Property |
| Cp,gas | 430.24 | J/mol×K | 611.04 | Joback Calculated Property |
| Cp,gas | 443.43 | J/mol×K | 642.17 | Joback Calculated Property |
| Cp,gas | 456.03 | J/mol×K | 673.31 | Joback Calculated Property |
| Cp,gas | 468.03 | J/mol×K | 704.45 | Joback Calculated Property |
| Cp,gas | 479.43 | J/mol×K | 735.58 | Joback Calculated Property |
| Cp,gas | 490.22 | J/mol×K | 766.72 | Joback Calculated Property |
| η | [0.0001658; 0.0031886] | Pa×s | [316.78; 579.90] |
|
| η | 0.0031886 | Pa×s | 316.78 | Joback Calculated Property |
| η | 0.0014437 | Pa×s | 360.63 | Joback Calculated Property |
| η | 0.0007762 | Pa×s | 404.49 | Joback Calculated Property |
| η | 0.0004712 | Pa×s | 448.34 | Joback Calculated Property |
| η | 0.0003126 | Pa×s | 492.19 | Joback Calculated Property |
| η | 0.0002218 | Pa×s | 536.05 | Joback Calculated Property |
| η | 0.0001658 | Pa×s | 579.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2R,4S)-2,4-Dimethyladipic acid dimethyl ester.
Sources
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