- InChI
- InChI=1S/C22H34O4/c1-4-7-8-9-10-11-16-25-21(23)18-14-12-15-19(17-18)22(24)26-20(6-3)13-5-2/h12,14-15,17,20H,4-11,13,16H2,1-3H3
- InChI Key
- AFIYSHPKRJCOHX-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)OC(C
C)CCC)c1 - Molecular Weight1
- 362.50
- 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 | 1.0399 | Relay (1.0) Calculated Property | |
| ΔfG° | -233.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -888.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.939 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1177.66 | kPa | Joback Calculated Property |
| Inp | 2638.00 | NIST | |
| Tboil | 647.78 | K | Relay (1.0) Calculated Property |
| Tc | 844.62 | K | Relay (1.0) Calculated Property |
| Tfus | 267.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.164 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [997.77; 1079.28] | J/mol×K | [886.56; 1090.83] | 
|
| Cp,gas | 997.77 | J/mol×K | 886.56 | Joback Calculated Property |
| Cp,gas | 1014.40 | J/mol×K | 920.61 | Joback Calculated Property |
| Cp,gas | 1029.77 | J/mol×K | 954.65 | Joback Calculated Property |
| Cp,gas | 1043.91 | J/mol×K | 988.70 | Joback Calculated Property |
| Cp,gas | 1056.86 | J/mol×K | 1022.74 | Joback Calculated Property |
| Cp,gas | 1068.64 | J/mol×K | 1056.79 | Joback Calculated Property |
| Cp,gas | 1079.28 | J/mol×K | 1090.83 | Joback Calculated Property |
| η | [0.0000377; 0.0005411] | Pa×s | [505.96; 886.56] |
|
| η | 0.0005411 | Pa×s | 505.96 | Joback Calculated Property |
| η | 0.0002711 | Pa×s | 569.39 | Joback Calculated Property |
| η | 0.0001560 | Pa×s | 632.83 | Joback Calculated Property |
| η | 0.0000993 | Pa×s | 696.26 | Joback Calculated Property |
| η | 0.0000682 | Pa×s | 759.69 | Joback Calculated Property |
| η | 0.0000496 | Pa×s | 823.13 | Joback Calculated Property |
| η | 0.0000377 | Pa×s | 886.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hex-3-yl octyl ester.
Sources
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