- InChI
- InChI=1S/C23H28O5/c1-3-4-5-6-7-8-16-27-22(24)18-10-9-11-19(17-18)23(25)28-21-14-12-20(26-2)13-15-21/h9-15,17H,3-8,16H2,1-2H3
- InChI Key
- LMBRYCWJLMHLKJ-UHFFFAOYSA-N
- Formula
- C23H28O5
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)Oc2c
cc(OC)cc2)c1 - Molecular Weight1
- 384.47
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -224.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -689.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.39 | kJ/mol | Joback Calculated Property |
| log10WS | -6.85 | Crippen Calculated Property | |
| logPoct/wat | 5.432 | Crippen Calculated Property | |
| McVol | 308.160 | ml/mol | McGowan Calculated Property |
| Pc | 1352.64 | kPa | Joback Calculated Property |
| Inp | [3200.00; 3200.00] |
|
|
| Inp | 3200.00 | NIST | |
| Inp | 3200.00 | NIST | |
| Tboil | 963.96 | K | Joback Calculated Property |
| Tc | 1187.86 | K | Joback Calculated Property |
| Tfus | 593.40 | K | Joback Calculated Property |
| Vc | 1.173 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [983.39; 1041.52] | J/mol×K | [963.96; 1187.86] |
|
| Cp,gas | 983.39 | J/mol×K | 963.96 | Joback Calculated Property |
| Cp,gas | 996.76 | J/mol×K | 1001.28 | Joback Calculated Property |
| Cp,gas | 1008.63 | J/mol×K | 1038.59 | Joback Calculated Property |
| Cp,gas | 1019.01 | J/mol×K | 1075.91 | Joback Calculated Property |
| Cp,gas | 1027.94 | J/mol×K | 1113.23 | Joback Calculated Property |
| Cp,gas | 1035.43 | J/mol×K | 1150.55 | Joback Calculated Property |
| Cp,gas | 1041.52 | J/mol×K | 1187.86 | Joback Calculated Property |
| η | [0.0000280; 0.0002370] | Pa×s | [593.40; 963.96] |
|
| η | 0.0002370 | Pa×s | 593.40 | Joback Calculated Property |
| η | 0.0001403 | Pa×s | 655.16 | Joback Calculated Property |
| η | 0.0000909 | Pa×s | 716.92 | Joback Calculated Property |
| η | 0.0000631 | Pa×s | 778.68 | Joback Calculated Property |
| η | 0.0000462 | Pa×s | 840.44 | Joback Calculated Property |
| η | 0.0000353 | Pa×s | 902.20 | Joback Calculated Property |
| η | 0.0000280 | Pa×s | 963.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-methoxyphenyl octyl ester.
Sources
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