- 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° | -109.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -657.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.80 | 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 | 1385.05 | 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 | 918.13 | K | Relay (1.0) Calculated Property |
| Tfus | 288.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.127 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [957.00; 1024.11] | J/mol×K | [936.56; 1158.33] |
|
| Cp,gas | 957.00 | J/mol×K | 936.56 | Joback Calculated Property |
| Cp,gas | 971.39 | J/mol×K | 973.52 | Joback Calculated Property |
| Cp,gas | 984.43 | J/mol×K | 1010.48 | Joback Calculated Property |
| Cp,gas | 996.18 | J/mol×K | 1047.44 | Joback Calculated Property |
| Cp,gas | 1006.67 | J/mol×K | 1084.41 | Joback Calculated Property |
| Cp,gas | 1015.97 | J/mol×K | 1121.37 | Joback Calculated Property |
| Cp,gas | 1024.11 | J/mol×K | 1158.33 | Joback Calculated Property |
| η | [0.0000368; 0.0003786] | Pa×s | [558.65; 936.56] |
|
| η | 0.0003786 | Pa×s | 558.65 | Joback Calculated Property |
| η | 0.0002108 | Pa×s | 621.63 | Joback Calculated Property |
| η | 0.0001307 | Pa×s | 684.62 | Joback Calculated Property |
| η | 0.0000879 | Pa×s | 747.61 | Joback Calculated Property |
| η | 0.0000628 | Pa×s | 810.59 | Joback Calculated Property |
| η | 0.0000472 | Pa×s | 873.57 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 936.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptyl phenylethyl ester.
Sources
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