- InChI
- InChI=1S/C6H11IO2/c1-2-5-9-6(8)3-4-7/h2-5H2,1H3
- InChI Key
- CNTHQHNTVHYYJW-UHFFFAOYSA-N
- Formula
- C6H11IO2
- SMILES
- CCCOC(=O)CCI
- Molecular Weight1
- 242.05
- 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 | 0.4835 | Relay (1.0) Calculated Property | |
| ΔfG° | -176.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -399.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.765 | Crippen Calculated Property | |
| McVol | 128.660 | ml/mol | McGowan Calculated Property |
| Pc | 3191.93 | kPa | Joback Calculated Property |
| Inp | [1216.00; 1216.00] |
|
|
| Inp | 1216.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Tboil | 483.01 | K | Relay (1.0) Calculated Property |
| Tc | 683.38 | K | Relay (1.0) Calculated Property |
| Tfus | 237.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.456 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.54; 298.35] | J/mol×K | [506.11; 715.74] |
|
| Cp,gas | 245.54 | J/mol×K | 506.11 | Joback Calculated Property |
| Cp,gas | 255.51 | J/mol×K | 541.05 | Joback Calculated Property |
| Cp,gas | 264.99 | J/mol×K | 575.99 | Joback Calculated Property |
| Cp,gas | 274.01 | J/mol×K | 610.93 | Joback Calculated Property |
| Cp,gas | 282.57 | J/mol×K | 645.86 | Joback Calculated Property |
| Cp,gas | 290.68 | J/mol×K | 680.80 | Joback Calculated Property |
| Cp,gas | 298.35 | J/mol×K | 715.74 | Joback Calculated Property |
| η | [0.0003261; 0.0035969] | Pa×s | [287.60; 506.11] |
|
| η | 0.0035969 | Pa×s | 287.60 | Joback Calculated Property |
| η | 0.0019254 | Pa×s | 324.02 | Joback Calculated Property |
| η | 0.0011694 | Pa×s | 360.44 | Joback Calculated Property |
| η | 0.0007783 | Pa×s | 396.86 | Joback Calculated Property |
| η | 0.0005547 | Pa×s | 433.27 | Joback Calculated Property |
| η | 0.0004167 | Pa×s | 469.69 | Joback Calculated Property |
| η | 0.0003261 | Pa×s | 506.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionic acid, 3-iodo-, propyl ester.
Sources
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