- InChI
- InChI=1S/C23H22O4/c1-2-3-6-15-26-22(24)18-11-7-12-19(16-18)23(25)27-21-14-8-10-17-9-4-5-13-20(17)21/h4-5,7-14,16H,2-3,6,15H2,1H3
- InChI Key
- SXQMDNHLLUOILA-UHFFFAOYSA-N
- Formula
- C23H22O4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)Oc2cccc
3ccccc23)c1 - Molecular Weight1
- 362.42
- 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° | -12.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.62 | kJ/mol | Joback Calculated Property |
| log10WS | -7.28 | Crippen Calculated Property | |
| logPoct/wat | 5.406 | Crippen Calculated Property | |
| McVol | 282.830 | ml/mol | McGowan Calculated Property |
| Pc | 1656.49 | kPa | Joback Calculated Property |
| Inp | [3187.00; 3187.00] |
|
|
| Inp | 3187.00 | NIST | |
| Inp | 3187.00 | NIST | |
| Tboil | 960.52 | K | Joback Calculated Property |
| Tc | 1197.59 | K | Joback Calculated Property |
| Tfus | 603.87 | K | Joback Calculated Property |
| Vc | 1.077 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [874.15; 935.31] | J/mol×K | [960.52; 1197.59] |
|
| Cp,gas | 874.15 | J/mol×K | 960.52 | Joback Calculated Property |
| Cp,gas | 887.05 | J/mol×K | 1000.03 | Joback Calculated Property |
| Cp,gas | 898.77 | J/mol×K | 1039.54 | Joback Calculated Property |
| Cp,gas | 909.37 | J/mol×K | 1079.06 | Joback Calculated Property |
| Cp,gas | 918.94 | J/mol×K | 1118.57 | Joback Calculated Property |
| Cp,gas | 927.56 | J/mol×K | 1158.08 | Joback Calculated Property |
| Cp,gas | 935.31 | J/mol×K | 1197.59 | Joback Calculated Property |
| η | [0.0000779; 0.0004574] | Pa×s | [603.87; 960.52] |
|
| η | 0.0004574 | Pa×s | 603.87 | Joback Calculated Property |
| η | 0.0002984 | Pa×s | 663.31 | Joback Calculated Property |
| η | 0.0002088 | Pa×s | 722.75 | Joback Calculated Property |
| η | 0.0001542 | Pa×s | 782.19 | Joback Calculated Property |
| η | 0.0001189 | Pa×s | 841.64 | Joback Calculated Property |
| η | 0.0000949 | Pa×s | 901.08 | Joback Calculated Property |
| η | 0.0000779 | Pa×s | 960.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 1-naphthyl pentyl ester.
Sources
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