- InChI
- InChI=1S/C25H40O4/c1-4-5-6-7-8-9-10-11-12-16-20-28-23(26)25(2,3)24(27)29-21-19-22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19-21H2,1-3H3
- InChI Key
- ZBUGMUSZHOLBNP-UHFFFAOYSA-N
- Formula
- C25H40O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)
OCCc1ccccc1 - 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 | 1.0553 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -917.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.263 | Crippen Calculated Property | |
| McVol | 354.230 | ml/mol | McGowan Calculated Property |
| Pc | 991.38 | kPa | Joback Calculated Property |
| Inp | 2713.00 | NIST | |
| Tboil | 653.26 | K | Relay (1.0) Calculated Property |
| Tc | 863.32 | K | Relay (1.0) Calculated Property |
| Tfus | 285.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.335 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1181.88; 1267.53] | J/mol×K | [947.43; 1160.67] | 
|
| Cp,gas | 1181.88 | J/mol×K | 947.43 | Joback Calculated Property |
| Cp,gas | 1199.24 | J/mol×K | 982.97 | Joback Calculated Property |
| Cp,gas | 1215.27 | J/mol×K | 1018.51 | Joback Calculated Property |
| Cp,gas | 1230.05 | J/mol×K | 1054.05 | Joback Calculated Property |
| Cp,gas | 1243.64 | J/mol×K | 1089.59 | Joback Calculated Property |
| Cp,gas | 1256.11 | J/mol×K | 1125.13 | Joback Calculated Property |
| Cp,gas | 1267.53 | J/mol×K | 1160.67 | Joback Calculated Property |
| η | [0.0000199; 0.0003495] | Pa×s | [544.67; 947.43] |
|
| η | 0.0003495 | Pa×s | 544.67 | Joback Calculated Property |
| η | 0.0001667 | Pa×s | 611.80 | Joback Calculated Property |
| η | 0.0000920 | Pa×s | 678.92 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 746.05 | Joback Calculated Property |
| η | 0.0000377 | Pa×s | 813.18 | Joback Calculated Property |
| η | 0.0000267 | Pa×s | 880.30 | Joback Calculated Property |
| η | 0.0000199 | Pa×s | 947.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, dodecyl 2-phenethyl ester.
Sources
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