- InChI
- InChI=1S/C21H32O4/c1-6-7-8-9-10-14-24-19(22)17-12-11-13-18(15-17)20(23)25-16(2)21(3,4)5/h11-13,15-16H,6-10,14H2,1-5H3
- InChI Key
- KMCYRCSSYSUMGJ-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)OC(C)
C(C)(C)C)c1 - Molecular Weight1
- 348.48
- 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 | 0.9310 | Relay (1.0) Calculated Property | |
| ΔfG° | -238.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -884.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.405 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1276.42 | kPa | Joback Calculated Property |
| Inp | 2393.00 | NIST | |
| Tboil | 633.05 | K | Relay (1.0) Calculated Property |
| Tc | 834.62 | K | Relay (1.0) Calculated Property |
| Tfus | 316.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.097 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [938.43; 1020.73] | J/mol×K | [860.45; 1067.71] | 
|
| Cp,gas | 938.43 | J/mol×K | 860.45 | Joback Calculated Property |
| Cp,gas | 955.02 | J/mol×K | 894.99 | Joback Calculated Property |
| Cp,gas | 970.40 | J/mol×K | 929.54 | Joback Calculated Property |
| Cp,gas | 984.62 | J/mol×K | 964.08 | Joback Calculated Property |
| Cp,gas | 997.72 | J/mol×K | 998.62 | Joback Calculated Property |
| Cp,gas | 1009.74 | J/mol×K | 1033.16 | Joback Calculated Property |
| Cp,gas | 1020.73 | J/mol×K | 1067.71 | Joback Calculated Property |
| η | [0.0000343; 0.0005578] | Pa×s | [497.11; 860.45] |
|
| η | 0.0005578 | Pa×s | 497.11 | Joback Calculated Property |
| η | 0.0002722 | Pa×s | 557.67 | Joback Calculated Property |
| η | 0.0001529 | Pa×s | 618.22 | Joback Calculated Property |
| η | 0.0000952 | Pa×s | 678.78 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 739.34 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 799.89 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 860.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,3-dimethylbut-2-yl heptyl ester.
Sources
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