- InChI
- InChI=1S/C27H36O4/c1-2-3-4-5-6-7-8-12-20-30-26(28)24-18-13-19-25(22-24)27(29)31-21-14-17-23-15-10-9-11-16-23/h9-11,13,15-16,18-19,22H,2-8,12,14,17,20-21H2,1H3
- InChI Key
- JCAYKSCPHVYNKP-UHFFFAOYSA-N
- Formula
- C27H36O4
- SMILES
-
CCCCCCCCCCOC(=O)c1cccc(C(=O)OC
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 | 1.1778 | Relay (1.0) Calculated Property | |
| ΔfG° | -76.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -747.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.774 | Crippen Calculated Property | |
| McVol | 358.650 | ml/mol | McGowan Calculated Property |
| Pc | 1060.33 | kPa | Joback Calculated Property |
| Inp | [3427.00; 3427.00] |
|
|
| Inp | 3427.00 | NIST | |
| Inp | 3427.00 | NIST | |
| Tboil | 718.50 | K | Relay (1.0) Calculated Property |
| Tc | 942.84 | K | Relay (1.0) Calculated Property |
| Tfus | 304.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.344 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1198.95; 1265.69] | J/mol×K | [1028.08; 1259.02] |
|
| Cp,gas | 1198.95 | J/mol×K | 1028.08 | Joback Calculated Property |
| Cp,gas | 1213.64 | J/mol×K | 1066.57 | Joback Calculated Property |
| Cp,gas | 1226.81 | J/mol×K | 1105.06 | Joback Calculated Property |
| Cp,gas | 1238.53 | J/mol×K | 1143.55 | Joback Calculated Property |
| Cp,gas | 1248.86 | J/mol×K | 1182.04 | Joback Calculated Property |
| Cp,gas | 1257.89 | J/mol×K | 1220.53 | Joback Calculated Property |
| Cp,gas | 1265.69 | J/mol×K | 1259.02 | Joback Calculated Property |
| η | [0.0000203; 0.0002386] | Pa×s | [603.73; 1028.08] |
|
| η | 0.0002386 | Pa×s | 603.73 | Joback Calculated Property |
| η | 0.0001276 | Pa×s | 674.46 | Joback Calculated Property |
| η | 0.0000768 | Pa×s | 745.18 | Joback Calculated Property |
| η | 0.0000505 | Pa×s | 815.90 | Joback Calculated Property |
| η | 0.0000355 | Pa×s | 886.63 | Joback Calculated Property |
| η | 0.0000263 | Pa×s | 957.35 | Joback Calculated Property |
| η | 0.0000203 | Pa×s | 1028.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, decyl 3-phenylpropyl ester.
Sources
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