- InChI
- InChI=1S/C21H30O4/c1-3-5-7-8-9-11-16-25-21(23)19-14-12-13-18(17-19)20(22)24-15-10-6-4-2/h4,12-14,17H,2-3,5-11,15-16H2,1H3
- InChI Key
- RMMPZLFGCYWWTK-UHFFFAOYSA-N
- Formula
- C21H30O4
- SMILES
-
C=CCCCOC(=O)c1cccc(C(=O)OCCCCC
CCC)c1 - Molecular Weight1
- 346.46
- 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 | 1.0103 | Relay (1.0) Calculated Property | |
| ΔfG° | -151.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -764.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.327 | Crippen Calculated Property | |
| McVol | 293.570 | ml/mol | McGowan Calculated Property |
| Pc | 1290.21 | kPa | Joback Calculated Property |
| Inp | 2549.00 | NIST | |
| Tboil | 669.20 | K | Relay (1.0) Calculated Property |
| Tc | 848.26 | K | Relay (1.0) Calculated Property |
| Tfus | 279.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.082 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [909.38; 988.15] | J/mol×K | [860.80; 1063.09] | 
|
| Cp,gas | 909.38 | J/mol×K | 860.80 | Joback Calculated Property |
| Cp,gas | 925.25 | J/mol×K | 894.51 | Joback Calculated Property |
| Cp,gas | 939.98 | J/mol×K | 928.23 | Joback Calculated Property |
| Cp,gas | 953.61 | J/mol×K | 961.94 | Joback Calculated Property |
| Cp,gas | 966.16 | J/mol×K | 995.66 | Joback Calculated Property |
| Cp,gas | 977.66 | J/mol×K | 1029.37 | Joback Calculated Property |
| Cp,gas | 988.15 | J/mol×K | 1063.09 | Joback Calculated Property |
| η | [0.0000510; 0.0005479] | Pa×s | [507.93; 860.80] |
|
| η | 0.0005479 | Pa×s | 507.93 | Joback Calculated Property |
| η | 0.0003004 | Pa×s | 566.74 | Joback Calculated Property |
| η | 0.0001844 | Pa×s | 625.55 | Joback Calculated Property |
| η | 0.0001231 | Pa×s | 684.37 | Joback Calculated Property |
| η | 0.0000876 | Pa×s | 743.18 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 801.99 | Joback Calculated Property |
| η | 0.0000510 | Pa×s | 860.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, octyl pent-4-enyl ester.
Sources
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