- InChI
- InChI=1S/C31H50O5/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-25-35-29(33)31(6-2,7-3)30(34)36-28-23-21-27(22-24-28)26(4)32/h21-24H,5-20,25H2,1-4H3
- InChI Key
- MOGLNYBTKDWRNS-UHFFFAOYSA-N
- Formula
- C31H50O5
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC
)C(=O)Oc1ccc(C(C)=O)cc1 - Molecular Weight1
- 502.73
- 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° | -281.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1069.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.30 | kJ/mol | Joback Calculated Property |
| log10WS | -9.86 | Crippen Calculated Property | |
| logPoct/wat | 8.626 | Crippen Calculated Property | |
| McVol | 440.340 | ml/mol | McGowan Calculated Property |
| Pc | 728.88 | kPa | Joback Calculated Property |
| Inp | [3537.00; 3537.00] |
|
|
| Inp | 3537.00 | NIST | |
| Inp | 3537.00 | NIST | |
| Tboil | 1143.56 | K | Joback Calculated Property |
| Tc | 1421.44 | K | Joback Calculated Property |
| Tfus | 674.74 | K | Joback Calculated Property |
| Vc | 1.706 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1571.45; 1649.18] | J/mol×K | [1143.56; 1421.44] |
|
| Cp,gas | 1571.45 | J/mol×K | 1143.56 | Joback Calculated Property |
| Cp,gas | 1588.90 | J/mol×K | 1189.87 | Joback Calculated Property |
| Cp,gas | 1604.31 | J/mol×K | 1236.19 | Joback Calculated Property |
| Cp,gas | 1617.87 | J/mol×K | 1282.50 | Joback Calculated Property |
| Cp,gas | 1629.75 | J/mol×K | 1328.81 | Joback Calculated Property |
| Cp,gas | 1640.13 | J/mol×K | 1375.13 | Joback Calculated Property |
| Cp,gas | 1649.18 | J/mol×K | 1421.44 | Joback Calculated Property |
| η | [0.0000071; 0.0001044] | Pa×s | [674.74; 1143.56] |
|
| η | 0.0001044 | Pa×s | 674.74 | Joback Calculated Property |
| η | 0.0000528 | Pa×s | 752.88 | Joback Calculated Property |
| η | 0.0000303 | Pa×s | 831.01 | Joback Calculated Property |
| η | 0.0000192 | Pa×s | 909.15 | Joback Calculated Property |
| η | 0.0000130 | Pa×s | 987.29 | Joback Calculated Property |
| η | 0.0000094 | Pa×s | 1065.42 | Joback Calculated Property |
| η | 0.0000071 | Pa×s | 1143.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-acetylphenyl hexadecyl ester.
Sources
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