- InChI
- InChI=1S/C23H28O4/c1-23(2,21(24)26-17-9-15-19-11-5-3-6-12-19)22(25)27-18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,9-10,15-18H2,1-2H3
- InChI Key
- NYJIXRFZLWGUNS-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
CC(C)(C(=O)OCCCc1ccccc1)C(=O)O
CCCc1ccccc1 - Molecular Weight1
- 368.47
- 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 | 0.8674 | Relay (1.0) Calculated Property | |
| ΔfG° | -250.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -643.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.365 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1336.86 | kPa | Joback Calculated Property |
| Inp | 2694.00 | NIST | |
| Tboil | 669.66 | K | Relay (1.0) Calculated Property |
| Tc | 910.60 | K | Relay (1.0) Calculated Property |
| Tfus | 312.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.116 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [946.90; 1017.18] | J/mol×K | [892.41; 1114.71] | 
|
| Cp,gas | 946.90 | J/mol×K | 892.41 | Joback Calculated Property |
| Cp,gas | 961.88 | J/mol×K | 929.46 | Joback Calculated Property |
| Cp,gas | 975.45 | J/mol×K | 966.51 | Joback Calculated Property |
| Cp,gas | 987.68 | J/mol×K | 1003.56 | Joback Calculated Property |
| Cp,gas | 998.65 | J/mol×K | 1040.61 | Joback Calculated Property |
| Cp,gas | 1008.46 | J/mol×K | 1077.66 | Joback Calculated Property |
| Cp,gas | 1017.18 | J/mol×K | 1114.71 | Joback Calculated Property |
| η | [0.0000214; 0.0005769] | Pa×s | [488.89; 892.41] |
|
| η | 0.0005769 | Pa×s | 488.89 | Joback Calculated Property |
| η | 0.0002390 | Pa×s | 556.14 | Joback Calculated Property |
| η | 0.0001197 | Pa×s | 623.40 | Joback Calculated Property |
| η | 0.0000686 | Pa×s | 690.65 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 757.90 | Joback Calculated Property |
| η | 0.0000296 | Pa×s | 825.16 | Joback Calculated Property |
| η | 0.0000214 | Pa×s | 892.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, di(3-phenylpropyl) ester.
Sources
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