- InChI
- InChI=1S/C30H50O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-25-33-28(31)30(5-2,6-3)29(32)34-26-24-27-22-19-18-20-23-27/h18-20,22-23H,4-17,21,24-26H2,1-3H3
- InChI Key
- PIWMDNSIGNHWIH-UHFFFAOYSA-N
- Formula
- C30H50O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)
C(=O)OCCc1ccccc1 - Molecular Weight1
- 474.72
- 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 | 1.2141 | Relay (1.0) Calculated Property | |
| ΔfG° | -150.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1002.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.213 | Crippen Calculated Property | |
| McVol | 424.680 | ml/mol | McGowan Calculated Property |
| Pc | 748.15 | kPa | Joback Calculated Property |
| Inp | 3163.00 | NIST | |
| Tboil | 695.23 | K | Relay (1.0) Calculated Property |
| Tc | 902.42 | K | Relay (1.0) Calculated Property |
| Tfus | 302.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.569 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1497.51; 1589.78] | J/mol×K | [1061.83; 1308.19] | 
|
| Cp,gas | 1497.51 | J/mol×K | 1061.83 | Joback Calculated Property |
| Cp,gas | 1516.73 | J/mol×K | 1102.89 | Joback Calculated Property |
| Cp,gas | 1534.24 | J/mol×K | 1143.95 | Joback Calculated Property |
| Cp,gas | 1550.17 | J/mol×K | 1185.01 | Joback Calculated Property |
| Cp,gas | 1564.65 | J/mol×K | 1226.07 | Joback Calculated Property |
| Cp,gas | 1577.81 | J/mol×K | 1267.13 | Joback Calculated Property |
| Cp,gas | 1589.78 | J/mol×K | 1308.19 | Joback Calculated Property |
| η | [0.0000088; 0.0001763] | Pa×s | [601.02; 1061.83] |
|
| η | 0.0001763 | Pa×s | 601.02 | Joback Calculated Property |
| η | 0.0000807 | Pa×s | 677.82 | Joback Calculated Property |
| η | 0.0000433 | Pa×s | 754.62 | Joback Calculated Property |
| η | 0.0000261 | Pa×s | 831.42 | Joback Calculated Property |
| η | 0.0000171 | Pa×s | 908.23 | Joback Calculated Property |
| η | 0.0000120 | Pa×s | 985.03 | Joback Calculated Property |
| η | 0.0000088 | Pa×s | 1061.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, pentadecyl phenethyl ester.
Sources
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