- InChI
- InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3
- InChI Key
- QBEXFUOWUYCXNI-UHFFFAOYSA-N
- Formula
- C15H17I2NO2
- SMILES
- CCCCCCCC(=O)Oc1c(I)cc(C#N)cc1I
- Molecular Weight1
- 497.11
- CAS
- 3861-47-0
- Other Names
-
- Benzonitrile, 3,5-diiodo-4-hydroxy-, octanoate
- Benzonitrile, 3,5-diiodo-4-octanoyloxy-
- 4-Cyano-2,6-dijodphenol caprysaeureester
- 3,5-Diiodo-4-hydroxybenzonitrile octanoate
- 3,5-Diiodo-4-octanoyloxybenzonitrile
- 3,5-Dijod-4-hydroxy-benzonitril caprysaeureester
- Ioxynil octanoate
- M&B 11,461
- RIP-15830
- Totril
- (4-Cyano-2,6-diiodophenyl) octanoate
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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 |
|---|---|---|---|
| ΔcH°solid | -8019.50 | kJ/mol | NIST |
| ΔfG° | 174.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -76.99 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -389.30 | kJ/mol | NIST |
| ΔfusH° | 40.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.63 | kJ/mol | Joback Calculated Property |
| log10WS | -6.95 | Crippen Calculated Property | |
| logPoct/wat | 5.033 | Crippen Calculated Property | |
| McVol | 258.910 | ml/mol | McGowan Calculated Property |
| Pc | 1743.37 | kPa | Joback Calculated Property |
| Inp | 2737.00 | NIST | |
| Tboil | 948.87 | K | Joback Calculated Property |
| Tc | 1200.94 | K | Joback Calculated Property |
| Tfus | 576.06 | K | Joback Calculated Property |
| Vc | 0.994 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.60; 704.91] | J/mol×K | [948.87; 1200.94] | 
|
| Cp,gas | 655.60 | J/mol×K | 948.87 | Joback Calculated Property |
| Cp,gas | 665.79 | J/mol×K | 990.88 | Joback Calculated Property |
| Cp,gas | 675.11 | J/mol×K | 1032.89 | Joback Calculated Property |
| Cp,gas | 683.63 | J/mol×K | 1074.90 | Joback Calculated Property |
| Cp,gas | 691.40 | J/mol×K | 1116.92 | Joback Calculated Property |
| Cp,gas | 698.47 | J/mol×K | 1158.93 | Joback Calculated Property |
| Cp,gas | 704.91 | J/mol×K | 1200.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 4-cyano-2,6-diiodophenyl ester.
Sources
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