- InChI
- InChI=1S/C23H36O4/c1-8-13-19(17(6)7)26-21(24)23(9-2,10-3)22(25)27-20-15-12-11-14-18(20)16(4)5/h11-12,14-17,19H,8-10,13H2,1-7H3
- InChI Key
- IISMGNKGGVHUQB-UHFFFAOYSA-N
- Formula
- C23H36O4
- SMILES
-
CCCC(OC(=O)C(CC)(CC)C(=O)Oc1cc
ccc1C(C)C)C(C)C - Molecular Weight1
- 376.53
- 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° | -226.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -807.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.58 | kJ/mol | Joback Calculated Property |
| log10WS | -6.48 | Crippen Calculated Property | |
| logPoct/wat | 5.890 | Crippen Calculated Property | |
| McVol | 326.050 | ml/mol | McGowan Calculated Property |
| Pc | 1129.86 | kPa | Joback Calculated Property |
| Inp | [2175.00; 2175.00] |
|
|
| Inp | 2175.00 | NIST | |
| Inp | 2175.00 | NIST | |
| Tboil | 905.33 | K | Joback Calculated Property |
| Tc | 1117.42 | K | Joback Calculated Property |
| Tfus | 489.65 | K | Joback Calculated Property |
| Vc | 1.234 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1059.80; 1143.17] | J/mol×K | [905.33; 1117.42] |
|
| Cp,gas | 1059.80 | J/mol×K | 905.33 | Joback Calculated Property |
| Cp,gas | 1076.84 | J/mol×K | 940.68 | Joback Calculated Property |
| Cp,gas | 1092.55 | J/mol×K | 976.03 | Joback Calculated Property |
| Cp,gas | 1106.98 | J/mol×K | 1011.38 | Joback Calculated Property |
| Cp,gas | 1120.19 | J/mol×K | 1046.72 | Joback Calculated Property |
| Cp,gas | 1132.24 | J/mol×K | 1082.07 | Joback Calculated Property |
| Cp,gas | 1143.17 | J/mol×K | 1117.42 | Joback Calculated Property |
| η | [0.0000211; 0.0005871] | Pa×s | [489.65; 905.33] |
|
| η | 0.0005871 | Pa×s | 489.65 | Joback Calculated Property |
| η | 0.0002391 | Pa×s | 558.93 | Joback Calculated Property |
| η | 0.0001187 | Pa×s | 628.21 | Joback Calculated Property |
| η | 0.0000677 | Pa×s | 697.49 | Joback Calculated Property |
| η | 0.0000428 | Pa×s | 766.77 | Joback Calculated Property |
| η | 0.0000291 | Pa×s | 836.05 | Joback Calculated Property |
| η | 0.0000211 | Pa×s | 905.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-isopropylphenyl 2-methylhex-3-yl ester.
Sources
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