- InChI
- InChI=1S/C20H30O4/c1-5-6-7-8-9-13-23-18(21)16-11-10-12-17(14-16)19(22)24-15-20(2,3)4/h10-12,14H,5-9,13,15H2,1-4H3
- InChI Key
- YUJPVDWYHDOMMC-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)OCC(C
)(C)C)c1 - Molecular Weight1
- 334.45
- 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 | 0.9521 | Relay (1.0) Calculated Property | |
| ΔfG° | -244.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -861.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.017 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1360.63 | kPa | Joback Calculated Property |
| Inp | [2414.00; 2414.00] |
|
|
| Inp | 2414.00 | NIST | |
| Inp | 2414.00 | NIST | |
| Tboil | 635.33 | K | Relay (1.0) Calculated Property |
| Tc | 826.60 | K | Relay (1.0) Calculated Property |
| Tfus | 322.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.070 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [878.75; 960.08] | J/mol×K | [838.01; 1043.17] |
|
| Cp,gas | 878.75 | J/mol×K | 838.01 | Joback Calculated Property |
| Cp,gas | 895.04 | J/mol×K | 872.20 | Joback Calculated Property |
| Cp,gas | 910.18 | J/mol×K | 906.40 | Joback Calculated Property |
| Cp,gas | 924.22 | J/mol×K | 940.59 | Joback Calculated Property |
| Cp,gas | 937.18 | J/mol×K | 974.79 | Joback Calculated Property |
| Cp,gas | 949.13 | J/mol×K | 1008.98 | Joback Calculated Property |
| Cp,gas | 960.08 | J/mol×K | 1043.17 | Joback Calculated Property |
| η | [0.0000434; 0.0005463] | Pa×s | [500.84; 838.01] |
|
| η | 0.0005463 | Pa×s | 500.84 | Joback Calculated Property |
| η | 0.0002895 | Pa×s | 557.03 | Joback Calculated Property |
| η | 0.0001723 | Pa×s | 613.23 | Joback Calculated Property |
| η | 0.0001119 | Pa×s | 669.42 | Joback Calculated Property |
| η | 0.0000777 | Pa×s | 725.62 | Joback Calculated Property |
| η | 0.0000569 | Pa×s | 781.82 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 838.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptyl neopentyl ester.
Sources
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