- InChI
- InChI=1S/C9H17IO2/c1-2-3-4-5-6-9(11)12-8-7-10/h2-8H2,1H3
- InChI Key
- LUISAYURPQPDIY-UHFFFAOYSA-N
- Formula
- C9H17IO2
- SMILES
- CCCCCCC(=O)OCCI
- Molecular Weight1
- 284.13
- 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 | 0.6193 | Relay (1.0) Calculated Property | |
| ΔfG° | -150.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -472.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.935 | Crippen Calculated Property | |
| McVol | 170.930 | ml/mol | McGowan Calculated Property |
| Pc | 2361.07 | kPa | Joback Calculated Property |
| Inp | [1484.00; 1484.00] |
|
|
| Inp | 1484.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Tboil | 531.15 | K | Relay (1.0) Calculated Property |
| Tc | 729.00 | K | Relay (1.0) Calculated Property |
| Tfus | 246.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.616 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.61; 447.17] | J/mol×K | [574.75; 775.16] |
|
| Cp,gas | 378.61 | J/mol×K | 574.75 | Joback Calculated Property |
| Cp,gas | 391.58 | J/mol×K | 608.15 | Joback Calculated Property |
| Cp,gas | 403.91 | J/mol×K | 641.55 | Joback Calculated Property |
| Cp,gas | 415.62 | J/mol×K | 674.96 | Joback Calculated Property |
| Cp,gas | 426.72 | J/mol×K | 708.36 | Joback Calculated Property |
| Cp,gas | 437.23 | J/mol×K | 741.76 | Joback Calculated Property |
| Cp,gas | 447.17 | J/mol×K | 775.16 | Joback Calculated Property |
| η | [0.0002362; 0.0031185] | Pa×s | [321.41; 574.75] |
|
| η | 0.0031185 | Pa×s | 321.41 | Joback Calculated Property |
| η | 0.0015803 | Pa×s | 363.63 | Joback Calculated Property |
| η | 0.0009225 | Pa×s | 405.86 | Joback Calculated Property |
| η | 0.0005960 | Pa×s | 448.08 | Joback Calculated Property |
| η | 0.0004151 | Pa×s | 490.30 | Joback Calculated Property |
| η | 0.0003062 | Pa×s | 532.53 | Joback Calculated Property |
| η | 0.0002362 | Pa×s | 574.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptanoic acid, 2-iodoethyl ester.
Sources
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