- InChI
- InChI=1S/C18H22O4/c1-3-5-7-12-21-17(19)15-10-9-11-16(14-15)18(20)22-13-8-6-4-2/h3-4,9-11,14H,1-2,5-8,12-13H2
- InChI Key
- NYNZBEXGNHUGPM-UHFFFAOYSA-N
- Formula
- C18H22O4
- SMILES
-
C=CCCCOC(=O)c1cccc(C(=O)OCCCC=
C)c1 - Molecular Weight1
- 302.36
- 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° | -88.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -428.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.57 | kJ/mol | Joback Calculated Property |
| log10WS | -5.01 | Crippen Calculated Property | |
| logPoct/wat | 3.933 | Crippen Calculated Property | |
| McVol | 247.000 | ml/mol | McGowan Calculated Property |
| Pc | 1660.55 | kPa | Joback Calculated Property |
| Inp | [2241.00; 2241.00] |
|
|
| Inp | 2241.00 | NIST | |
| Inp | 2241.00 | NIST | |
| Tboil | 788.84 | K | Joback Calculated Property |
| Tc | 993.01 | K | Joback Calculated Property |
| Tfus | 472.36 | K | Joback Calculated Property |
| Vc | 0.946 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.01; 782.49] | J/mol×K | [788.84; 993.01] |
|
| Cp,gas | 709.01 | J/mol×K | 788.84 | Joback Calculated Property |
| Cp,gas | 723.67 | J/mol×K | 822.87 | Joback Calculated Property |
| Cp,gas | 737.33 | J/mol×K | 856.90 | Joback Calculated Property |
| Cp,gas | 750.02 | J/mol×K | 890.92 | Joback Calculated Property |
| Cp,gas | 761.76 | J/mol×K | 924.95 | Joback Calculated Property |
| Cp,gas | 772.57 | J/mol×K | 958.98 | Joback Calculated Property |
| Cp,gas | 782.49 | J/mol×K | 993.01 | Joback Calculated Property |
| η | [0.0000815; 0.0007381] | Pa×s | [472.36; 788.84] |
|
| η | 0.0007381 | Pa×s | 472.36 | Joback Calculated Property |
| η | 0.0004252 | Pa×s | 525.11 | Joback Calculated Property |
| η | 0.0002709 | Pa×s | 577.85 | Joback Calculated Property |
| η | 0.0001861 | Pa×s | 630.60 | Joback Calculated Property |
| η | 0.0001355 | Pa×s | 683.35 | Joback Calculated Property |
| η | 0.0001032 | Pa×s | 736.09 | Joback Calculated Property |
| η | 0.0000815 | Pa×s | 788.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(pent-4-enyl) ester.
Sources
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