- InChI
- InChI=1S/C28H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-28(29)30-26-25-27-22-19-18-20-23-27/h18-20,22-23H,2-17,21,24-26H2,1H3
- InChI Key
- DPOBVFSNJHYUBJ-UHFFFAOYSA-N
- Formula
- C28H48O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCC(=O)OCCc1c
cccc1 - Molecular Weight1
- 416.68
- CAS
- 608138-41-6
- 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 | 1.1872 | Relay (1.0) Calculated Property | |
| ΔfG° | 63.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -695.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.814 | Crippen Calculated Property | |
| McVol | 389.060 | ml/mol | McGowan Calculated Property |
| Pc | 802.97 | kPa | Joback Calculated Property |
| Inp | [3095.60; 3095.60] |
|
|
| Inp | 3095.60 | NIST | |
| Inp | 3095.60 | NIST | |
| Tboil | 675.75 | K | Relay (1.0) Calculated Property |
| Tc | 874.79 | K | Relay (1.0) Calculated Property |
| Tfus | 307.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.490 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1320.09; 1424.89] | J/mol×K | [943.01; 1155.06] |
|
| Cp,gas | 1320.09 | J/mol×K | 943.01 | Joback Calculated Property |
| Cp,gas | 1340.86 | J/mol×K | 978.35 | Joback Calculated Property |
| Cp,gas | 1360.20 | J/mol×K | 1013.69 | Joback Calculated Property |
| Cp,gas | 1378.20 | J/mol×K | 1049.03 | Joback Calculated Property |
| Cp,gas | 1394.93 | J/mol×K | 1084.38 | Joback Calculated Property |
| Cp,gas | 1410.47 | J/mol×K | 1119.72 | Joback Calculated Property |
| Cp,gas | 1424.89 | J/mol×K | 1155.06 | Joback Calculated Property |
| η | [0.0000237; 0.0005223] | Pa×s | [503.90; 943.01] |
|
| η | 0.0005223 | Pa×s | 503.90 | Joback Calculated Property |
| η | 0.0002249 | Pa×s | 577.08 | Joback Calculated Property |
| η | 0.0001170 | Pa×s | 650.27 | Joback Calculated Property |
| η | 0.0000695 | Pa×s | 723.45 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 796.64 | Joback Calculated Property |
| η | 0.0000319 | Pa×s | 869.82 | Joback Calculated Property |
| η | 0.0000237 | Pa×s | 943.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenethyl icosanoate.
Sources
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