- InChI
- InChI=1S/C28H38O4/c1-2-3-4-5-6-7-8-9-10-14-21-31-27(29)25-18-15-19-26(23-25)28(30)32-22-20-24-16-12-11-13-17-24/h11-13,15-19,23H,2-10,14,20-22H2,1H3
- InChI Key
- ALYNKZJDNNWBSM-UHFFFAOYSA-N
- Formula
- C28H38O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)
OCCc2ccccc2)c1 - Molecular Weight1
- 438.61
- 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 | 1.2175 | Relay (1.0) Calculated Property | |
| ΔfG° | -220.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -761.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.164 | Crippen Calculated Property | |
| McVol | 372.740 | ml/mol | McGowan Calculated Property |
| Pc | 947.33 | kPa | Joback Calculated Property |
| Inp | [3521.00; 3521.00] |
|
|
| Inp | 3521.00 | NIST | |
| Inp | 3521.00 | NIST | |
| Tboil | 721.69 | K | Relay (1.0) Calculated Property |
| Tc | 952.19 | K | Relay (1.0) Calculated Property |
| Tfus | 290.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1246.29; 1311.55] | J/mol×K | [1015.02; 1242.82] |
|
| Cp,gas | 1246.29 | J/mol×K | 1015.02 | Joback Calculated Property |
| Cp,gas | 1260.99 | J/mol×K | 1052.99 | Joback Calculated Property |
| Cp,gas | 1274.07 | J/mol×K | 1090.95 | Joback Calculated Property |
| Cp,gas | 1285.58 | J/mol×K | 1128.92 | Joback Calculated Property |
| Cp,gas | 1295.62 | J/mol×K | 1166.88 | Joback Calculated Property |
| Cp,gas | 1304.25 | J/mol×K | 1204.85 | Joback Calculated Property |
| Cp,gas | 1311.55 | J/mol×K | 1242.82 | Joback Calculated Property |
| η | [0.0000130; 0.0002746] | Pa×s | [555.34; 1015.02] |
|
| η | 0.0002746 | Pa×s | 555.34 | Joback Calculated Property |
| η | 0.0001213 | Pa×s | 631.95 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 708.57 | Joback Calculated Property |
| η | 0.0000382 | Pa×s | 785.18 | Joback Calculated Property |
| η | 0.0000250 | Pa×s | 861.79 | Joback Calculated Property |
| η | 0.0000175 | Pa×s | 938.41 | Joback Calculated Property |
| η | 0.0000130 | Pa×s | 1015.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, dodecyl phenylethyl ester.
Sources
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