- InChI
- InChI=1S/C21H40O4/c1-7-9-11-13-15-17(3)24-19(22)21(5,6)20(23)25-18(4)16-14-12-10-8-2/h17-18H,7-16H2,1-6H3
- InChI Key
- GUICPTOYTCEVOA-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCCCCC(C)OC(=O)C(C)(C)C(=O)OC
(C)CCCCCC - Molecular Weight1
- 356.54
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8974 | Relay (1.0) Calculated Property | |
| ΔfG° | -496.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1136.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.817 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 983.31 | kPa | Joback Calculated Property |
| Inp | 2035.00 | NIST | |
| Tboil | 572.01 | K | Relay (1.0) Calculated Property |
| Tc | 771.51 | K | Relay (1.0) Calculated Property |
| Tfus | 255.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.234 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1014.68; 1111.87] | J/mol×K | [792.41; 976.54] | 
|
| Cp,gas | 1014.68 | J/mol×K | 792.41 | Joback Calculated Property |
| Cp,gas | 1033.71 | J/mol×K | 823.10 | Joback Calculated Property |
| Cp,gas | 1051.56 | J/mol×K | 853.79 | Joback Calculated Property |
| Cp,gas | 1068.27 | J/mol×K | 884.47 | Joback Calculated Property |
| Cp,gas | 1083.87 | J/mol×K | 915.16 | Joback Calculated Property |
| Cp,gas | 1098.39 | J/mol×K | 945.85 | Joback Calculated Property |
| Cp,gas | 1111.87 | J/mol×K | 976.54 | Joback Calculated Property |
| η | [0.0000246; 0.0023384] | Pa×s | [383.51; 792.41] |
|
| η | 0.0023384 | Pa×s | 383.51 | Joback Calculated Property |
| η | 0.0006177 | Pa×s | 451.66 | Joback Calculated Property |
| η | 0.0002314 | Pa×s | 519.81 | Joback Calculated Property |
| η | 0.0001088 | Pa×s | 587.96 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 656.11 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 724.26 | Joback Calculated Property |
| η | 0.0000246 | Pa×s | 792.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, di(2-octyl) ester.
Sources
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