- InChI
- InChI=1S/C25H26O4/c1-2-3-4-5-8-17-28-24(26)20-13-9-14-21(18-20)25(27)29-23-16-10-12-19-11-6-7-15-22(19)23/h6-7,9-16,18H,2-5,8,17H2,1H3
- InChI Key
- FNSDBNDKQWWSRW-UHFFFAOYSA-N
- Formula
- C25H26O4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)Oc2cc
cc3ccccc23)c1 - Molecular Weight1
- 390.47
- 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° | 3.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -407.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.07 | kJ/mol | Joback Calculated Property |
| log10WS | -8.12 | Crippen Calculated Property | |
| logPoct/wat | 6.186 | Crippen Calculated Property | |
| McVol | 311.010 | ml/mol | McGowan Calculated Property |
| Pc | 1425.07 | kPa | Joback Calculated Property |
| Inp | [3392.00; 3392.00] |
|
|
| Inp | 3392.00 | NIST | |
| Inp | 3392.00 | NIST | |
| Tboil | 1006.28 | K | Joback Calculated Property |
| Tc | 1242.63 | K | Joback Calculated Property |
| Tfus | 626.41 | K | Joback Calculated Property |
| Vc | 1.190 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [992.44; 1055.13] | J/mol×K | [1006.28; 1242.63] |
|
| Cp,gas | 992.44 | J/mol×K | 1006.28 | Joback Calculated Property |
| Cp,gas | 1005.59 | J/mol×K | 1045.67 | Joback Calculated Property |
| Cp,gas | 1017.54 | J/mol×K | 1085.06 | Joback Calculated Property |
| Cp,gas | 1028.38 | J/mol×K | 1124.45 | Joback Calculated Property |
| Cp,gas | 1038.20 | J/mol×K | 1163.84 | Joback Calculated Property |
| Cp,gas | 1047.09 | J/mol×K | 1203.24 | Joback Calculated Property |
| Cp,gas | 1055.13 | J/mol×K | 1242.63 | Joback Calculated Property |
| η | [0.0000593; 0.0003766] | Pa×s | [626.41; 1006.28] |
|
| η | 0.0003766 | Pa×s | 626.41 | Joback Calculated Property |
| η | 0.0002403 | Pa×s | 689.72 | Joback Calculated Property |
| η | 0.0001653 | Pa×s | 753.03 | Joback Calculated Property |
| η | 0.0001205 | Pa×s | 816.35 | Joback Calculated Property |
| η | 0.0000920 | Pa×s | 879.66 | Joback Calculated Property |
| η | 0.0000728 | Pa×s | 942.97 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 1006.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptyl 1-naphthyl ester.
Sources
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