- InChI
- InChI=1S/C23H26O5/c1-2-3-4-5-6-9-15-27-22(25)18-12-10-13-19(16-18)23(26)28-21-14-8-7-11-20(21)17-24/h7-8,10-14,16-17H,2-6,9,15H2,1H3
- InChI Key
- QMUNGAAGMVFZGO-UHFFFAOYSA-N
- Formula
- C23H26O5
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)Oc2c
cccc2C=O)c1 - Molecular Weight1
- 382.45
- 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° | -219.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -643.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.70 | kJ/mol | Joback Calculated Property |
| log10WS | -6.97 | Crippen Calculated Property | |
| logPoct/wat | 5.236 | Crippen Calculated Property | |
| McVol | 303.860 | ml/mol | McGowan Calculated Property |
| Pc | 1447.94 | kPa | Joback Calculated Property |
| Inp | [3169.00; 3169.00] |
|
|
| Inp | 3169.00 | NIST | |
| Inp | 3169.00 | NIST | |
| Tboil | 990.20 | K | Joback Calculated Property |
| Tc | 1218.74 | K | Joback Calculated Property |
| Tfus | 613.17 | K | Joback Calculated Property |
| Vc | 1.173 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [965.35; 1018.26] | J/mol×K | [990.20; 1218.74] |
|
| Cp,gas | 965.35 | J/mol×K | 990.20 | Joback Calculated Property |
| Cp,gas | 977.48 | J/mol×K | 1028.29 | Joback Calculated Property |
| Cp,gas | 988.22 | J/mol×K | 1066.38 | Joback Calculated Property |
| Cp,gas | 997.63 | J/mol×K | 1104.47 | Joback Calculated Property |
| Cp,gas | 1005.74 | J/mol×K | 1142.56 | Joback Calculated Property |
| Cp,gas | 1012.60 | J/mol×K | 1180.65 | Joback Calculated Property |
| Cp,gas | 1018.26 | J/mol×K | 1218.74 | Joback Calculated Property |
| η | [0.0000404; 0.0003272] | Pa×s | [613.17; 990.20] |
|
| η | 0.0003272 | Pa×s | 613.17 | Joback Calculated Property |
| η | 0.0001963 | Pa×s | 676.01 | Joback Calculated Property |
| η | 0.0001285 | Pa×s | 738.85 | Joback Calculated Property |
| η | 0.0000899 | Pa×s | 801.68 | Joback Calculated Property |
| η | 0.0000662 | Pa×s | 864.52 | Joback Calculated Property |
| η | 0.0000508 | Pa×s | 927.36 | Joback Calculated Property |
| η | 0.0000404 | Pa×s | 990.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-formylphenyl octyl ester.
Sources
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