- InChI
- InChI=1S/C25H40O4/c1-4-5-6-7-8-9-10-11-15-20-28-23(26)25(2,3)24(27)29-21-16-19-22-17-13-12-14-18-22/h12-14,17-18H,4-11,15-16,19-21H2,1-3H3
- InChI Key
- LIWDTDKVKYHISX-UHFFFAOYSA-N
- Formula
- C25H40O4
- SMILES
-
CCCCCCCCCCCOC(=O)C(C)(C)C(=O)O
CCCc1ccccc1 - Molecular Weight1
- 404.59
- 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 | 1.0540 | Relay (1.0) Calculated Property | |
| ΔfG° | -345.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -924.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.263 | Crippen Calculated Property | |
| McVol | 354.230 | ml/mol | McGowan Calculated Property |
| Pc | 942.10 | kPa | Joback Calculated Property |
| Inp | 2726.00 | NIST | |
| Tboil | 656.96 | K | Relay (1.0) Calculated Property |
| Tc | 865.26 | K | Relay (1.0) Calculated Property |
| Tfus | 281.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.337 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1166.25; 1251.19] | J/mol×K | [911.49; 1117.72] | 
|
| Cp,gas | 1166.25 | J/mol×K | 911.49 | Joback Calculated Property |
| Cp,gas | 1183.64 | J/mol×K | 945.86 | Joback Calculated Property |
| Cp,gas | 1199.66 | J/mol×K | 980.23 | Joback Calculated Property |
| Cp,gas | 1214.35 | J/mol×K | 1014.61 | Joback Calculated Property |
| Cp,gas | 1227.79 | J/mol×K | 1048.98 | Joback Calculated Property |
| Cp,gas | 1240.05 | J/mol×K | 1083.35 | Joback Calculated Property |
| Cp,gas | 1251.19 | J/mol×K | 1117.72 | Joback Calculated Property |
| η | [0.0000153; 0.0005527] | Pa×s | [485.01; 911.49] |
|
| η | 0.0005527 | Pa×s | 485.01 | Joback Calculated Property |
| η | 0.0002075 | Pa×s | 556.09 | Joback Calculated Property |
| η | 0.0000973 | Pa×s | 627.17 | Joback Calculated Property |
| η | 0.0000532 | Pa×s | 698.25 | Joback Calculated Property |
| η | 0.0000325 | Pa×s | 769.33 | Joback Calculated Property |
| η | 0.0000216 | Pa×s | 840.41 | Joback Calculated Property |
| η | 0.0000153 | Pa×s | 911.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 3-phenylpropyl undecyl ester.
Sources
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