- InChI
- InChI=1S/C32H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-35-30(33)32(2,3)31(34)36-28-23-26-29-24-20-19-21-25-29/h19-21,24-25H,4-18,22-23,26-28H2,1-3H3
- InChI Key
- RTQUSFKTROWEEG-UHFFFAOYSA-N
- Formula
- C32H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C
)C(=O)OCCCc1ccccc1 - Molecular Weight1
- 502.78
- 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 | 1.3049 | Relay (1.0) Calculated Property | |
| ΔfG° | -286.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1071.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.993 | Crippen Calculated Property | |
| McVol | 452.860 | ml/mol | McGowan Calculated Property |
| Pc | 647.46 | kPa | Joback Calculated Property |
| Inp | [3452.00; 3452.00] |
|
|
| Inp | 3452.00 | NIST | |
| Inp | 3452.00 | NIST | |
| Tboil | 703.30 | K | Relay (1.0) Calculated Property |
| Tc | 911.53 | K | Relay (1.0) Calculated Property |
| Tfus | 298.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.718 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1607.49; 1698.82] | J/mol×K | [1071.65; 1326.97] |
|
| Cp,gas | 1607.49 | J/mol×K | 1071.65 | Joback Calculated Property |
| Cp,gas | 1627.16 | J/mol×K | 1114.20 | Joback Calculated Property |
| Cp,gas | 1644.84 | J/mol×K | 1156.76 | Joback Calculated Property |
| Cp,gas | 1660.68 | J/mol×K | 1199.31 | Joback Calculated Property |
| Cp,gas | 1674.85 | J/mol×K | 1241.86 | Joback Calculated Property |
| Cp,gas | 1687.51 | J/mol×K | 1284.42 | Joback Calculated Property |
| Cp,gas | 1698.82 | J/mol×K | 1326.97 | Joback Calculated Property |
| η | [0.0000047; 0.0001878] | Pa×s | [563.90; 1071.65] |
|
| η | 0.0001878 | Pa×s | 563.90 | Joback Calculated Property |
| η | 0.0000682 | Pa×s | 648.52 | Joback Calculated Property |
| η | 0.0000313 | Pa×s | 733.15 | Joback Calculated Property |
| η | 0.0000169 | Pa×s | 817.77 | Joback Calculated Property |
| η | 0.0000102 | Pa×s | 902.40 | Joback Calculated Property |
| η | 0.0000067 | Pa×s | 987.02 | Joback Calculated Property |
| η | 0.0000047 | Pa×s | 1071.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, octadecyl 3-phenylpropyl ester.
Sources
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