- InChI
- InChI=1S/C28H37IO4/c1-2-3-4-5-6-7-8-9-10-11-14-20-32-27(30)25-18-12-13-19-26(25)28(31)33-22-23-16-15-17-24(29)21-23/h12-13,15-19,21H,2-11,14,20,22H2,1H3
- InChI Key
- QUMFNHMGDIUCPY-UHFFFAOYSA-N
- Formula
- C28H37IO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=
O)OCc1cccc(I)c1 - Molecular Weight1
- 564.50
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -19.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.48 | kJ/mol | Joback Calculated Property |
| log10WS | -10.24 | Crippen Calculated Property | |
| logPoct/wat | 8.116 | Crippen Calculated Property | |
| McVol | 398.560 | ml/mol | McGowan Calculated Property |
| Pc | 974.13 | kPa | Joback Calculated Property |
| Inp | 3706.00 | NIST | |
| Tboil | 1149.08 | K | Joback Calculated Property |
| Tc | 1407.27 | K | Joback Calculated Property |
| Tfus | 685.58 | K | Joback Calculated Property |
| Vc | 1.524 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1300.81; 1354.16] | J/mol×K | [1149.08; 1407.27] | 
|
| Cp,gas | 1300.81 | J/mol×K | 1149.08 | Joback Calculated Property |
| Cp,gas | 1313.10 | J/mol×K | 1192.11 | Joback Calculated Property |
| Cp,gas | 1323.88 | J/mol×K | 1235.14 | Joback Calculated Property |
| Cp,gas | 1333.27 | J/mol×K | 1278.17 | Joback Calculated Property |
| Cp,gas | 1341.37 | J/mol×K | 1321.20 | Joback Calculated Property |
| Cp,gas | 1348.30 | J/mol×K | 1364.23 | Joback Calculated Property |
| Cp,gas | 1354.16 | J/mol×K | 1407.27 | Joback Calculated Property |
| η | [0.0000117; 0.0001238] | Pa×s | [685.58; 1149.08] |
|
| η | 0.0001238 | Pa×s | 685.58 | Joback Calculated Property |
| η | 0.0000685 | Pa×s | 762.83 | Joback Calculated Property |
| η | 0.0000423 | Pa×s | 840.08 | Joback Calculated Property |
| η | 0.0000283 | Pa×s | 917.33 | Joback Calculated Property |
| η | 0.0000202 | Pa×s | 994.58 | Joback Calculated Property |
| η | 0.0000151 | Pa×s | 1071.83 | Joback Calculated Property |
| η | 0.0000117 | Pa×s | 1149.08 | Joback Calculated Property |
Similar Compounds
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Sources
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