- InChI
- InChI=1S/C21H24O4/c1-5-15-9-7-11-17(13-15)24-19(22)21(3,4)20(23)25-18-12-8-10-16(6-2)14-18/h7-14H,5-6H2,1-4H3
- InChI Key
- GMAPRVCHACBOPH-UHFFFAOYSA-N
- Formula
- C21H24O4
- SMILES
-
CCc1cccc(OC(=O)C(C)(C)C(=O)Oc2
cccc(CC)c2)c1 - Molecular Weight1
- 340.41
- 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° | -133.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.23 | kJ/mol | Joback Calculated Property |
| log10WS | -5.53 | Crippen Calculated Property | |
| logPoct/wat | 4.349 | Crippen Calculated Property | |
| McVol | 274.110 | ml/mol | McGowan Calculated Property |
| Pc | 1611.58 | kPa | Joback Calculated Property |
| Inp | [2452.00; 2452.00] |
|
|
| Inp | 2452.00 | NIST | |
| Inp | 2452.00 | NIST | |
| Tboil | 892.55 | K | Joback Calculated Property |
| Tc | 1123.35 | K | Joback Calculated Property |
| Tfus | 551.05 | K | Joback Calculated Property |
| Vc | 1.032 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [839.04; 907.17] | J/mol×K | [892.55; 1123.35] |
|
| Cp,gas | 839.04 | J/mol×K | 892.55 | Joback Calculated Property |
| Cp,gas | 853.47 | J/mol×K | 931.02 | Joback Calculated Property |
| Cp,gas | 866.60 | J/mol×K | 969.48 | Joback Calculated Property |
| Cp,gas | 878.46 | J/mol×K | 1007.95 | Joback Calculated Property |
| Cp,gas | 889.14 | J/mol×K | 1046.41 | Joback Calculated Property |
| Cp,gas | 898.69 | J/mol×K | 1084.88 | Joback Calculated Property |
| Cp,gas | 907.17 | J/mol×K | 1123.35 | Joback Calculated Property |
| η | [0.0000387; 0.0003639] | Pa×s | [551.05; 892.55] |
|
| η | 0.0003639 | Pa×s | 551.05 | Joback Calculated Property |
| η | 0.0002102 | Pa×s | 607.97 | Joback Calculated Property |
| η | 0.0001334 | Pa×s | 664.88 | Joback Calculated Property |
| η | 0.0000910 | Pa×s | 721.80 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 778.72 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 835.63 | Joback Calculated Property |
| η | 0.0000387 | Pa×s | 892.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, di(3-ethylphenyl) ester.
Sources
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