- InChI
- InChI=1S/C22H32O4/c1-3-5-7-8-9-10-12-17-26-22(24)20-15-13-14-19(18-20)21(23)25-16-11-6-4-2/h4,13-15,18H,2-3,5-12,16-17H2,1H3
- InChI Key
- DMMDKPJDXGMHHN-UHFFFAOYSA-N
- Formula
- C22H32O4
- SMILES
-
C=CCCCOC(=O)c1cccc(C(=O)OCCCCC
CCCC)c1 - Molecular Weight1
- 360.49
- 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° | -142.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -636.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.15 | kJ/mol | Joback Calculated Property |
| log10WS | -6.83 | Crippen Calculated Property | |
| logPoct/wat | 5.717 | Crippen Calculated Property | |
| McVol | 307.660 | ml/mol | McGowan Calculated Property |
| Pc | 1205.63 | kPa | Joback Calculated Property |
| Inp | [2647.00; 2647.00] |
|
|
| Inp | 2647.00 | NIST | |
| Inp | 2647.00 | NIST | |
| Tboil | 883.68 | K | Joback Calculated Property |
| Tc | 1087.55 | K | Joback Calculated Property |
| Tfus | 519.20 | K | Joback Calculated Property |
| Vc | 1.188 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [969.05; 1048.51] | J/mol×K | [883.68; 1087.55] |
|
| Cp,gas | 969.05 | J/mol×K | 883.68 | Joback Calculated Property |
| Cp,gas | 985.14 | J/mol×K | 917.66 | Joback Calculated Property |
| Cp,gas | 1000.05 | J/mol×K | 951.64 | Joback Calculated Property |
| Cp,gas | 1013.81 | J/mol×K | 985.61 | Joback Calculated Property |
| Cp,gas | 1026.45 | J/mol×K | 1019.59 | Joback Calculated Property |
| Cp,gas | 1038.00 | J/mol×K | 1053.57 | Joback Calculated Property |
| Cp,gas | 1048.51 | J/mol×K | 1087.55 | Joback Calculated Property |
| η | [0.0000443; 0.0004940] | Pa×s | [519.20; 883.68] |
|
| η | 0.0004940 | Pa×s | 519.20 | Joback Calculated Property |
| η | 0.0002678 | Pa×s | 579.95 | Joback Calculated Property |
| η | 0.0001630 | Pa×s | 640.69 | Joback Calculated Property |
| η | 0.0001082 | Pa×s | 701.44 | Joback Calculated Property |
| η | 0.0000766 | Pa×s | 762.19 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 822.93 | Joback Calculated Property |
| η | 0.0000443 | Pa×s | 883.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, nonyl pent-4-enyl ester.
Sources
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