- InChI
- InChI=1S/C29H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-32-28(30)22-19-23-29(31)33-26-24-27-20-16-15-17-21-27/h15-17,20-21H,2-14,18-19,22-26H2,1H3
- InChI Key
- CLKWOSVEGMJFIY-UHFFFAOYSA-N
- Formula
- C29H48O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCC(=O)
OCCc1ccccc1 - Molecular Weight1
- 460.69
- 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 | 1.2883 | Relay (1.0) Calculated Property | |
| ΔfG° | -315.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1004.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.967 | Crippen Calculated Property | |
| McVol | 410.590 | ml/mol | McGowan Calculated Property |
| Pc | 746.11 | kPa | Joback Calculated Property |
| Inp | [3486.00; 3486.00] |
|
|
| Inp | 3486.00 | NIST | |
| Inp | 3486.00 | NIST | |
| Tboil | 706.63 | K | Relay (1.0) Calculated Property |
| Tc | 895.02 | K | Relay (1.0) Calculated Property |
| Tfus | 300.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.562 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1416.34; 1501.37] | J/mol×K | [1006.24; 1237.58] |
|
| Cp,gas | 1416.34 | J/mol×K | 1006.24 | Joback Calculated Property |
| Cp,gas | 1434.90 | J/mol×K | 1044.80 | Joback Calculated Property |
| Cp,gas | 1451.58 | J/mol×K | 1083.35 | Joback Calculated Property |
| Cp,gas | 1466.49 | J/mol×K | 1121.91 | Joback Calculated Property |
| Cp,gas | 1479.70 | J/mol×K | 1160.46 | Joback Calculated Property |
| Cp,gas | 1491.30 | J/mol×K | 1199.02 | Joback Calculated Property |
| Cp,gas | 1501.37 | J/mol×K | 1237.58 | Joback Calculated Property |
| η | [0.0000105; 0.0003373] | Pa×s | [527.67; 1006.24] |
|
| η | 0.0003373 | Pa×s | 527.67 | Joback Calculated Property |
| η | 0.0001293 | Pa×s | 607.43 | Joback Calculated Property |
| η | 0.0000619 | Pa×s | 687.19 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 766.95 | Joback Calculated Property |
| η | 0.0000215 | Pa×s | 846.72 | Joback Calculated Property |
| η | 0.0000145 | Pa×s | 926.48 | Joback Calculated Property |
| η | 0.0000105 | Pa×s | 1006.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hexadecyl phenethyl ester.
Sources
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