- InChI
- InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-23-31-26(29)28(2,3)27(30)32-24-19-22-25-20-16-15-17-21-25/h15-17,20-21H,4-14,18-19,22-24H2,1-3H3
- InChI Key
- XICPFQPMKUBHFJ-UHFFFAOYSA-N
- Formula
- C28H46O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(C)(C)C(=
O)OCCCc1ccccc1 - Molecular Weight1
- 446.67
- 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 | 1.1622 | Relay (1.0) Calculated Property | |
| ΔfG° | -320.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -989.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.433 | Crippen Calculated Property | |
| McVol | 396.500 | ml/mol | McGowan Calculated Property |
| Pc | 795.28 | kPa | Joback Calculated Property |
| Inp | 3036.00 | NIST | |
| Tboil | 677.17 | K | Relay (1.0) Calculated Property |
| Tc | 886.01 | K | Relay (1.0) Calculated Property |
| Tfus | 289.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.500 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1353.05; 1439.81] | J/mol×K | [980.13; 1200.57] | 
|
| Cp,gas | 1353.05 | J/mol×K | 980.13 | Joback Calculated Property |
| Cp,gas | 1371.14 | J/mol×K | 1016.87 | Joback Calculated Property |
| Cp,gas | 1387.65 | J/mol×K | 1053.61 | Joback Calculated Property |
| Cp,gas | 1402.69 | J/mol×K | 1090.35 | Joback Calculated Property |
| Cp,gas | 1416.33 | J/mol×K | 1127.09 | Joback Calculated Property |
| Cp,gas | 1428.67 | J/mol×K | 1163.83 | Joback Calculated Property |
| Cp,gas | 1439.81 | J/mol×K | 1200.57 | Joback Calculated Property |
| η | [0.0000093; 0.0003513] | Pa×s | [518.82; 980.13] |
|
| η | 0.0003513 | Pa×s | 518.82 | Joback Calculated Property |
| η | 0.0001299 | Pa×s | 595.70 | Joback Calculated Property |
| η | 0.0000603 | Pa×s | 672.59 | Joback Calculated Property |
| η | 0.0000327 | Pa×s | 749.47 | Joback Calculated Property |
| η | 0.0000199 | Pa×s | 826.36 | Joback Calculated Property |
| η | 0.0000132 | Pa×s | 903.24 | Joback Calculated Property |
| η | 0.0000093 | Pa×s | 980.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 3-phenylpropyl tetradecyl ester.
Sources
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