- InChI
- InChI=1S/C23H28O4/c1-2-3-4-5-9-16-26-22(24)20-13-10-14-21(18-20)23(25)27-17-15-19-11-7-6-8-12-19/h6-8,10-14,18H,2-5,9,15-17H2,1H3
- InChI Key
- SREBDSZSRALJCI-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)OCCc2
ccccc2)c1 - Molecular Weight1
- 368.47
- 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 | 1.0189 | Relay (1.0) Calculated Property | |
| ΔfG° | -262.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -657.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.213 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1304.23 | kPa | Joback Calculated Property |
| Inp | [2991.00; 2991.00] |
|
|
| Inp | 2991.00 | NIST | |
| Inp | 2991.00 | NIST | |
| Tboil | 687.80 | K | Relay (1.0) Calculated Property |
| Tc | 919.73 | K | Relay (1.0) Calculated Property |
| Tfus | 283.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.128 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [945.23; 1012.65] | J/mol×K | [900.62; 1117.49] |
|
| Cp,gas | 945.23 | J/mol×K | 900.62 | Joback Calculated Property |
| Cp,gas | 959.85 | J/mol×K | 936.77 | Joback Calculated Property |
| Cp,gas | 973.06 | J/mol×K | 972.91 | Joback Calculated Property |
| Cp,gas | 984.89 | J/mol×K | 1009.06 | Joback Calculated Property |
| Cp,gas | 995.40 | J/mol×K | 1045.20 | Joback Calculated Property |
| Cp,gas | 1004.63 | J/mol×K | 1081.35 | Joback Calculated Property |
| Cp,gas | 1012.65 | J/mol×K | 1117.49 | Joback Calculated Property |
| η | [0.0000279; 0.0005198] | Pa×s | [498.99; 900.62] |
|
| η | 0.0005198 | Pa×s | 498.99 | Joback Calculated Property |
| η | 0.0002394 | Pa×s | 565.93 | Joback Calculated Property |
| η | 0.0001299 | Pa×s | 632.87 | Joback Calculated Property |
| η | 0.0000792 | Pa×s | 699.80 | Joback Calculated Property |
| η | 0.0000527 | Pa×s | 766.74 | Joback Calculated Property |
| η | 0.0000374 | Pa×s | 833.68 | Joback Calculated Property |
| η | 0.0000279 | Pa×s | 900.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptyl phenylethyl ester.
Sources
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