- InChI
- InChI=1S/C4H7IO/c1-3(5)4(2)6/h3H,1-2H3
- InChI Key
- FPEIUGALYUCCPS-UHFFFAOYSA-N
- Formula
- C4H7IO
- SMILES
- CC(=O)C(C)I
- Molecular Weight1
- 198.00
- CAS
- 30719-18-7
- 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).
- 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° | -90.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-160.00; -160.00] | kJ/mol |
|
| ΔfH°gas | -160.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°gas | -160.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 8.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.23 | kJ/mol | Joback Calculated Property |
| log10WS | -1.84 | Crippen Calculated Property | |
| logPoct/wat | 1.399 | Crippen Calculated Property | |
| McVol | 94.610 | ml/mol | McGowan Calculated Property |
| Pc | 4146.27 | kPa | Joback Calculated Property |
| Tboil | 437.49 | K | Joback Calculated Property |
| Tc | 660.58 | K | Joback Calculated Property |
| Tfus | 227.83 | K | Joback Calculated Property |
| Vc | 0.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.82; 187.26] | J/mol×K | [437.49; 660.58] |
|
| Cp,gas | 147.82 | J/mol×K | 437.49 | Joback Calculated Property |
| Cp,gas | 155.47 | J/mol×K | 474.67 | Joback Calculated Property |
| Cp,gas | 162.65 | J/mol×K | 511.85 | Joback Calculated Property |
| Cp,gas | 169.41 | J/mol×K | 549.04 | Joback Calculated Property |
| Cp,gas | 175.74 | J/mol×K | 586.22 | Joback Calculated Property |
| Cp,gas | 181.69 | J/mol×K | 623.40 | Joback Calculated Property |
| Cp,gas | 187.26 | J/mol×K | 660.58 | Joback Calculated Property |
| η | [0.0004498; 0.0073258] | Pa×s | [227.83; 437.49] |
|
| η | 0.0073258 | Pa×s | 227.83 | Joback Calculated Property |
| η | 0.0033776 | Pa×s | 262.77 | Joback Calculated Property |
| η | 0.0018676 | Pa×s | 297.72 | Joback Calculated Property |
| η | 0.0011696 | Pa×s | 332.66 | Joback Calculated Property |
| η | 0.0008006 | Pa×s | 367.60 | Joback Calculated Property |
| η | 0.0005853 | Pa×s | 402.55 | Joback Calculated Property |
| η | 0.0004498 | Pa×s | 437.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Iodo-2-butanone.
Sources
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