- InChI
- InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-32-27(30)29(2,3)28(31)33-25-23-26-21-18-17-19-22-26/h17-19,21-22H,4-16,20,23-25H2,1-3H3
- InChI Key
- AQGISLFSBDFLQN-UHFFFAOYSA-N
- Formula
- C29H48O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C
(=O)OCCc1ccccc1 - Molecular Weight1
- 460.70
- 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 | 1.1992 | Relay (1.0) Calculated Property | |
| ΔfG° | -159.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1002.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.823 | Crippen Calculated Property | |
| McVol | 410.590 | ml/mol | McGowan Calculated Property |
| Pc | 789.04 | kPa | Joback Calculated Property |
| Inp | [3137.00; 3137.00] |
|
|
| Inp | 3137.00 | NIST | |
| Inp | 3137.00 | NIST | |
| Tboil | 680.01 | K | Relay (1.0) Calculated Property |
| Tc | 890.56 | K | Relay (1.0) Calculated Property |
| Tfus | 296.36 | K | Relay (1.0) Calculated Property |
| Vc | 1.553 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1433.59; 1524.12] | J/mol×K | [1038.95; 1276.31] |
|
| Cp,gas | 1433.59 | J/mol×K | 1038.95 | Joback Calculated Property |
| Cp,gas | 1452.33 | J/mol×K | 1078.51 | Joback Calculated Property |
| Cp,gas | 1469.46 | J/mol×K | 1118.07 | Joback Calculated Property |
| Cp,gas | 1485.09 | J/mol×K | 1157.63 | Joback Calculated Property |
| Cp,gas | 1499.34 | J/mol×K | 1197.19 | Joback Calculated Property |
| Cp,gas | 1512.31 | J/mol×K | 1236.75 | Joback Calculated Property |
| Cp,gas | 1524.12 | J/mol×K | 1276.31 | Joback Calculated Property |
| η | [0.0000104; 0.0002030] | Pa×s | [589.75; 1038.95] |
|
| η | 0.0002030 | Pa×s | 589.75 | Joback Calculated Property |
| η | 0.0000936 | Pa×s | 664.62 | Joback Calculated Property |
| η | 0.0000505 | Pa×s | 739.48 | Joback Calculated Property |
| η | 0.0000305 | Pa×s | 814.35 | Joback Calculated Property |
| η | 0.0000201 | Pa×s | 889.22 | Joback Calculated Property |
| η | 0.0000141 | Pa×s | 964.08 | Joback Calculated Property |
| η | 0.0000104 | Pa×s | 1038.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, hexadecyl 2-phenethyl ester.
Sources
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