- InChI
- InChI=1S/C24H30O4/c1-3-5-6-7-11-17-27-23(25)20-15-12-16-21(18-20)24(26)28-22(4-2)19-13-9-8-10-14-19/h8-10,12-16,18,22H,3-7,11,17H2,1-2H3
- InChI Key
- BCZMLXWJMITYDS-UHFFFAOYSA-N
- Formula
- C24H30O4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)OC(CC
)c2ccccc2)c1 - Molecular Weight1
- 382.49
- 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 | 1.0002 | Relay (1.0) Calculated Property | |
| ΔfG° | -103.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -698.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.122 | Crippen Calculated Property | |
| McVol | 316.380 | ml/mol | McGowan Calculated Property |
| Pc | 1298.60 | kPa | Joback Calculated Property |
| Inp | [2951.00; 2951.00] |
|
|
| Inp | 2951.00 | NIST | |
| Inp | 2951.00 | NIST | |
| Tboil | 675.46 | K | Relay (1.0) Calculated Property |
| Tc | 921.66 | K | Relay (1.0) Calculated Property |
| Tfus | 315.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.162 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1017.17; 1084.02] | J/mol×K | [959.00; 1183.19] |
|
| Cp,gas | 1017.17 | J/mol×K | 959.00 | Joback Calculated Property |
| Cp,gas | 1031.66 | J/mol×K | 996.37 | Joback Calculated Property |
| Cp,gas | 1044.74 | J/mol×K | 1033.73 | Joback Calculated Property |
| Cp,gas | 1056.47 | J/mol×K | 1071.10 | Joback Calculated Property |
| Cp,gas | 1066.89 | J/mol×K | 1108.46 | Joback Calculated Property |
| Cp,gas | 1076.05 | J/mol×K | 1145.83 | Joback Calculated Property |
| Cp,gas | 1084.02 | J/mol×K | 1183.19 | Joback Calculated Property |
| η | [0.0000290; 0.0003715] | Pa×s | [554.92; 959.00] |
|
| η | 0.0003715 | Pa×s | 554.92 | Joback Calculated Property |
| η | 0.0001929 | Pa×s | 622.27 | Joback Calculated Property |
| η | 0.0001139 | Pa×s | 689.61 | Joback Calculated Property |
| η | 0.0000738 | Pa×s | 756.96 | Joback Calculated Property |
| η | 0.0000514 | Pa×s | 824.31 | Joback Calculated Property |
| η | 0.0000377 | Pa×s | 891.65 | Joback Calculated Property |
| η | 0.0000290 | Pa×s | 959.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptyl 1-phenylpropyl ester.
Sources
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