- InChI
- InChI=1S/C33H64O4/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-31(34)33(8-2,9-3)32(35)37-28-26-30(6)25-23-24-29(4)5/h29-30H,7-28H2,1-6H3
- InChI Key
- SBIPXPRVASVWRY-UHFFFAOYSA-N
- Formula
- C33H64O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC
)C(=O)OCCC(C)CCCC(C)C - Molecular Weight1
- 524.86
- 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° | -242.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1233.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.29 | kJ/mol | Joback Calculated Property |
| log10WS | -10.64 | Crippen Calculated Property | |
| logPoct/wat | 10.213 | Crippen Calculated Property | |
| McVol | 490.710 | ml/mol | McGowan Calculated Property |
| Pc | 551.30 | kPa | Joback Calculated Property |
| Inp | [3219.00; 3219.00] |
|
|
| Inp | 3219.00 | NIST | |
| Inp | 3219.00 | NIST | |
| Tboil | 1102.91 | K | Joback Calculated Property |
| Tc | 1398.00 | K | Joback Calculated Property |
| Tfus | 578.41 | K | Joback Calculated Property |
| Vc | 1.909 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1802.97; 1920.24] | J/mol×K | [1102.91; 1398.00] |
|
| Cp,gas | 1802.97 | J/mol×K | 1102.91 | Joback Calculated Property |
| Cp,gas | 1828.61 | J/mol×K | 1152.09 | Joback Calculated Property |
| Cp,gas | 1851.50 | J/mol×K | 1201.27 | Joback Calculated Property |
| Cp,gas | 1871.88 | J/mol×K | 1250.46 | Joback Calculated Property |
| Cp,gas | 1889.98 | J/mol×K | 1299.64 | Joback Calculated Property |
| Cp,gas | 1906.02 | J/mol×K | 1348.82 | Joback Calculated Property |
| Cp,gas | 1920.24 | J/mol×K | 1398.00 | Joback Calculated Property |
| η | [0.0000043; 0.0001678] | Pa×s | [578.41; 1102.91] |
|
| η | 0.0001678 | Pa×s | 578.41 | Joback Calculated Property |
| η | 0.0000608 | Pa×s | 665.83 | Joback Calculated Property |
| η | 0.0000279 | Pa×s | 753.24 | Joback Calculated Property |
| η | 0.0000151 | Pa×s | 840.66 | Joback Calculated Property |
| η | 0.0000091 | Pa×s | 928.08 | Joback Calculated Property |
| η | 0.0000060 | Pa×s | 1015.49 | Joback Calculated Property |
| η | 0.0000043 | Pa×s | 1102.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3,7-dimethyloctyl hexadecyl ester.
Sources
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