- InChI
- InChI=1S/C21H30O4/c1-4-6-8-9-12-17(3)25-21(23)19-14-11-13-18(16-19)20(22)24-15-10-7-5-2/h9,11-14,16-17H,4-8,10,15H2,1-3H3/b12-9+
- InChI Key
- SIUBVVWMGUIHFX-FMIVXFBMSA-N
- Formula
- C21H30O4
- SMILES
-
CCCCC=CC(C)OC(=O)c1cccc(C(=O)O
CCCCC)c1 - Molecular Weight1
- 346.46
- 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° | -161.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -629.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.16 | kJ/mol | Joback Calculated Property |
| log10WS | -6.53 | Crippen Calculated Property | |
| logPoct/wat | 5.325 | Crippen Calculated Property | |
| McVol | 293.570 | ml/mol | McGowan Calculated Property |
| Pc | 1307.06 | kPa | Joback Calculated Property |
| Inp | [2530.00; 2530.00] |
|
|
| Inp | 2530.00 | NIST | |
| Inp | 2530.00 | NIST | |
| Tboil | 867.84 | K | Joback Calculated Property |
| Tc | 1074.27 | K | Joback Calculated Property |
| Tfus | 489.61 | K | Joback Calculated Property |
| Vc | 1.125 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [910.79; 990.48] | J/mol×K | [867.84; 1074.27] |
|
| Cp,gas | 910.79 | J/mol×K | 867.84 | Joback Calculated Property |
| Cp,gas | 926.79 | J/mol×K | 902.25 | Joback Calculated Property |
| Cp,gas | 941.65 | J/mol×K | 936.65 | Joback Calculated Property |
| Cp,gas | 955.41 | J/mol×K | 971.06 | Joback Calculated Property |
| Cp,gas | 968.11 | J/mol×K | 1005.46 | Joback Calculated Property |
| Cp,gas | 979.79 | J/mol×K | 1039.87 | Joback Calculated Property |
| Cp,gas | 990.48 | J/mol×K | 1074.27 | Joback Calculated Property |
| η | [0.0000380; 0.0005598] | Pa×s | [489.61; 867.84] |
|
| η | 0.0005598 | Pa×s | 489.61 | Joback Calculated Property |
| η | 0.0002770 | Pa×s | 552.65 | Joback Calculated Property |
| η | 0.0001583 | Pa×s | 615.69 | Joback Calculated Property |
| η | 0.0001004 | Pa×s | 678.72 | Joback Calculated Property |
| η | 0.0000687 | Pa×s | 741.76 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 804.80 | Joback Calculated Property |
| η | 0.0000380 | Pa×s | 867.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, oct-3-en-2-yl pentyl ester.
Sources
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