- InChI
- InChI=1S/C24H38O4/c1-4-5-6-7-8-9-10-11-12-17-27-23(25)21-14-13-15-22(19-21)24(26)28-18-16-20(2)3/h13-15,19-20H,4-12,16-18H2,1-3H3
- InChI Key
- GIYKHJHBTUTOKE-UHFFFAOYSA-N
- Formula
- C24H38O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
CCC(C)C)c1 - Molecular Weight1
- 390.56
- 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 | 1.1244 | Relay (1.0) Calculated Property | |
| ΔfG° | -216.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -932.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.577 | Crippen Calculated Property | |
| McVol | 340.140 | ml/mol | McGowan Calculated Property |
| Pc | 1036.57 | kPa | Joback Calculated Property |
| Inp | [2812.00; 2812.00] |
|
|
| Inp | 2812.00 | NIST | |
| Inp | 2812.00 | NIST | |
| Tboil | 664.61 | K | Relay (1.0) Calculated Property |
| Tc | 860.32 | K | Relay (1.0) Calculated Property |
| Tfus | 286.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.284 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1119.86; 1202.02] | J/mol×K | [932.32; 1142.37] |
|
| Cp,gas | 1119.86 | J/mol×K | 932.32 | Joback Calculated Property |
| Cp,gas | 1136.88 | J/mol×K | 967.33 | Joback Calculated Property |
| Cp,gas | 1152.52 | J/mol×K | 1002.34 | Joback Calculated Property |
| Cp,gas | 1166.82 | J/mol×K | 1037.34 | Joback Calculated Property |
| Cp,gas | 1179.81 | J/mol×K | 1072.35 | Joback Calculated Property |
| Cp,gas | 1191.53 | J/mol×K | 1107.36 | Joback Calculated Property |
| Cp,gas | 1202.02 | J/mol×K | 1142.37 | Joback Calculated Property |
| η | [0.0000281; 0.0004292] | Pa×s | [528.50; 932.32] |
|
| η | 0.0004292 | Pa×s | 528.50 | Joback Calculated Property |
| η | 0.0002108 | Pa×s | 595.80 | Joback Calculated Property |
| η | 0.0001196 | Pa×s | 663.11 | Joback Calculated Property |
| η | 0.0000753 | Pa×s | 730.41 | Joback Calculated Property |
| η | 0.0000513 | Pa×s | 797.71 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 865.02 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 932.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-methylbutyl undecyl ester.
Sources
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