- InChI
- InChI=1S/C22H26O4/c1-3-5-9-15-25-21(23)18-13-10-14-19(16-18)22(24)26-20(4-2)17-11-7-6-8-12-17/h6-8,10-14,16,20H,3-5,9,15H2,1-2H3
- InChI Key
- NYPUOBZOZSEJMH-UHFFFAOYSA-N
- Formula
- C22H26O4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)OC(CC)c
2ccccc2)c1 - Molecular Weight1
- 354.44
- 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 | 0.9168 | Relay (1.0) Calculated Property | |
| ΔfG° | -120.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -658.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.342 | Crippen Calculated Property | |
| McVol | 288.200 | ml/mol | McGowan Calculated Property |
| Pc | 1498.83 | kPa | Joback Calculated Property |
| Inp | 2742.00 | NIST | |
| Tboil | 660.65 | K | Relay (1.0) Calculated Property |
| Tc | 907.62 | K | Relay (1.0) Calculated Property |
| Tfus | 314.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.053 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [898.33; 965.49] | J/mol×K | [913.24; 1137.15] | 
|
| Cp,gas | 898.33 | J/mol×K | 913.24 | Joback Calculated Property |
| Cp,gas | 912.77 | J/mol×K | 950.56 | Joback Calculated Property |
| Cp,gas | 925.85 | J/mol×K | 987.88 | Joback Calculated Property |
| Cp,gas | 937.62 | J/mol×K | 1025.20 | Joback Calculated Property |
| Cp,gas | 948.11 | J/mol×K | 1062.51 | Joback Calculated Property |
| Cp,gas | 957.39 | J/mol×K | 1099.83 | Joback Calculated Property |
| Cp,gas | 965.49 | J/mol×K | 1137.15 | Joback Calculated Property |
| η | [0.0000388; 0.0004650] | Pa×s | [532.38; 913.24] |
|
| η | 0.0004650 | Pa×s | 532.38 | Joback Calculated Property |
| η | 0.0002465 | Pa×s | 595.86 | Joback Calculated Property |
| η | 0.0001477 | Pa×s | 659.33 | Joback Calculated Property |
| η | 0.0000968 | Pa×s | 722.81 | Joback Calculated Property |
| η | 0.0000679 | Pa×s | 786.29 | Joback Calculated Property |
| η | 0.0000502 | Pa×s | 849.76 | Joback Calculated Property |
| η | 0.0000388 | Pa×s | 913.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pentyl 1-phenylpropyl ester.
Sources
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