- InChI
- InChI=1S/C12H17IO/c1-12(2,3)9-14-8-10-5-4-6-11(13)7-10/h4-7H,8-9H2,1-3H3
- InChI Key
- FYNBFPMURGCMCT-UHFFFAOYSA-N
- Formula
- C12H17IO
- SMILES
- CC(C)(C)COCc1cccc(I)c1
- Molecular Weight1
- 304.17
- 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° | 108.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -130.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.73 | kJ/mol | Joback Calculated Property |
| log10WS | -4.44 | Crippen Calculated Property | |
| logPoct/wat | 3.854 | Crippen Calculated Property | |
| McVol | 187.870 | ml/mol | McGowan Calculated Property |
| Pc | 2324.78 | kPa | Joback Calculated Property |
| Inp | [1626.00; 1626.00] |
|
|
| Inp | 1626.00 | NIST | |
| Inp | 1626.00 | NIST | |
| Tboil | 617.95 | K | Joback Calculated Property |
| Tc | 857.94 | K | Joback Calculated Property |
| Tfus | 346.65 | K | Joback Calculated Property |
| Vc | 0.695 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [433.04; 513.09] | J/mol×K | [617.95; 857.94] |
|
| Cp,gas | 433.04 | J/mol×K | 617.95 | Joback Calculated Property |
| Cp,gas | 449.03 | J/mol×K | 657.95 | Joback Calculated Property |
| Cp,gas | 463.87 | J/mol×K | 697.95 | Joback Calculated Property |
| Cp,gas | 477.62 | J/mol×K | 737.95 | Joback Calculated Property |
| Cp,gas | 490.36 | J/mol×K | 777.94 | Joback Calculated Property |
| Cp,gas | 502.16 | J/mol×K | 817.94 | Joback Calculated Property |
| Cp,gas | 513.09 | J/mol×K | 857.94 | Joback Calculated Property |
| η | [0.0001416; 0.0021305] | Pa×s | [346.65; 617.95] |
|
| η | 0.0021305 | Pa×s | 346.65 | Joback Calculated Property |
| η | 0.0010448 | Pa×s | 391.87 | Joback Calculated Property |
| η | 0.0005938 | Pa×s | 437.08 | Joback Calculated Property |
| η | 0.0003752 | Pa×s | 482.30 | Joback Calculated Property |
| η | 0.0002564 | Pa×s | 527.52 | Joback Calculated Property |
| η | 0.0001862 | Pa×s | 572.73 | Joback Calculated Property |
| η | 0.0001416 | Pa×s | 617.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3-Iodophenyl) methanol, neopentyl ether.
Sources
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