- InChI
- InChI=1S/C23H27IO4/c1-2-3-4-5-6-9-15-27-22(25)20-13-7-8-14-21(20)23(26)28-17-18-11-10-12-19(24)16-18/h7-8,10-14,16H,2-6,9,15,17H2,1H3
- InChI Key
- YMGSHGRSWZRMSZ-UHFFFAOYSA-N
- Formula
- C23H27IO4
- SMILES
-
CCCCCCCCOC(=O)c1ccccc1C(=O)OCc
1cccc(I)c1 - Molecular Weight1
- 494.36
- 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 | 1.0240 | Relay (1.0) Calculated Property | |
| ΔfG° | -61.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -571.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.165 | Crippen Calculated Property | |
| McVol | 328.110 | ml/mol | McGowan Calculated Property |
| Pc | 1347.68 | kPa | Joback Calculated Property |
| Inp | 3205.00 | NIST | |
| Tboil | 716.35 | K | Relay (1.0) Calculated Property |
| Tc | 964.78 | K | Relay (1.0) Calculated Property |
| Tfus | 288.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.172 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [998.29; 1050.55] | J/mol×K | [1034.68; 1276.24] | 
|
| Cp,gas | 998.29 | J/mol×K | 1034.68 | Joback Calculated Property |
| Cp,gas | 1010.10 | J/mol×K | 1074.94 | Joback Calculated Property |
| Cp,gas | 1020.57 | J/mol×K | 1115.20 | Joback Calculated Property |
| Cp,gas | 1029.79 | J/mol×K | 1155.46 | Joback Calculated Property |
| Cp,gas | 1037.81 | J/mol×K | 1195.72 | Joback Calculated Property |
| Cp,gas | 1044.71 | J/mol×K | 1235.98 | Joback Calculated Property |
| Cp,gas | 1050.55 | J/mol×K | 1276.24 | Joback Calculated Property |
| η | [0.0000259; 0.0002341] | Pa×s | [629.23; 1034.68] |
|
| η | 0.0002341 | Pa×s | 629.23 | Joback Calculated Property |
| η | 0.0001358 | Pa×s | 696.80 | Joback Calculated Property |
| η | 0.0000868 | Pa×s | 764.38 | Joback Calculated Property |
| η | 0.0000596 | Pa×s | 831.95 | Joback Calculated Property |
| η | 0.0000433 | Pa×s | 899.53 | Joback Calculated Property |
| η | 0.0000329 | Pa×s | 967.10 | Joback Calculated Property |
| η | 0.0000259 | Pa×s | 1034.68 | Joback Calculated Property |
Similar Compounds
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Sources
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