- InChI
- InChI=1S/C27H36O4/c1-2-3-4-5-6-7-8-9-13-20-30-26(28)24-17-14-18-25(22-24)27(29)31-21-19-23-15-11-10-12-16-23/h10-12,14-18,22H,2-9,13,19-21H2,1H3
- InChI Key
- MZTHESWYWUYZLZ-UHFFFAOYSA-N
- Formula
- C27H36O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
CCc2ccccc2)c1 - Molecular Weight1
- 424.57
- 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 | 1.1787 | Relay (1.0) Calculated Property | |
| ΔfG° | -229.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -740.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.774 | Crippen Calculated Property | |
| McVol | 358.650 | ml/mol | McGowan Calculated Property |
| Pc | 1005.89 | kPa | Joback Calculated Property |
| Inp | 3416.00 | NIST | |
| Tboil | 715.06 | K | Relay (1.0) Calculated Property |
| Tc | 946.04 | K | Relay (1.0) Calculated Property |
| Tfus | 288.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.346 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1185.19; 1250.94] | J/mol×K | [992.14; 1215.88] | 
|
| Cp,gas | 1185.19 | J/mol×K | 992.14 | Joback Calculated Property |
| Cp,gas | 1199.85 | J/mol×K | 1029.43 | Joback Calculated Property |
| Cp,gas | 1212.94 | J/mol×K | 1066.72 | Joback Calculated Property |
| Cp,gas | 1224.52 | J/mol×K | 1104.01 | Joback Calculated Property |
| Cp,gas | 1234.67 | J/mol×K | 1141.30 | Joback Calculated Property |
| Cp,gas | 1243.45 | J/mol×K | 1178.59 | Joback Calculated Property |
| Cp,gas | 1250.94 | J/mol×K | 1215.88 | Joback Calculated Property |
| η | [0.0000152; 0.0003136] | Pa×s | [544.07; 992.14] |
|
| η | 0.0003136 | Pa×s | 544.07 | Joback Calculated Property |
| η | 0.0001396 | Pa×s | 618.75 | Joback Calculated Property |
| η | 0.0000740 | Pa×s | 693.43 | Joback Calculated Property |
| η | 0.0000444 | Pa×s | 768.11 | Joback Calculated Property |
| η | 0.0000291 | Pa×s | 842.78 | Joback Calculated Property |
| η | 0.0000205 | Pa×s | 917.46 | Joback Calculated Property |
| η | 0.0000152 | Pa×s | 992.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, phenylethyl undecyl ester.
Sources
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