- InChI
- InChI=1S/C17H33IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-17(19)14-15-18/h2-16H2,1H3
- InChI Key
- ASZJONDGXFMEQA-UHFFFAOYSA-N
- Formula
- C17H33IO2
- SMILES
- CCCCCCCCCCCCCCOC(=O)CCI
- Molecular Weight1
- 396.35
- 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 | 0.9016 | Relay (1.0) Calculated Property | |
| ΔfG° | -83.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -642.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.056 | Crippen Calculated Property | |
| McVol | 283.650 | ml/mol | McGowan Calculated Property |
| Pc | 1252.15 | kPa | Joback Calculated Property |
| Inp | [2363.00; 2363.00] |
|
|
| Inp | 2363.00 | NIST | |
| Inp | 2363.00 | NIST | |
| Tboil | 623.31 | K | Relay (1.0) Calculated Property |
| Tc | 808.83 | K | Relay (1.0) Calculated Property |
| Tfus | 299.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.061 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [802.24; 892.16] | J/mol×K | [757.79; 945.34] |
|
| Cp,gas | 802.24 | J/mol×K | 757.79 | Joback Calculated Property |
| Cp,gas | 819.35 | J/mol×K | 789.05 | Joback Calculated Property |
| Cp,gas | 835.58 | J/mol×K | 820.31 | Joback Calculated Property |
| Cp,gas | 850.94 | J/mol×K | 851.57 | Joback Calculated Property |
| Cp,gas | 865.47 | J/mol×K | 882.83 | Joback Calculated Property |
| Cp,gas | 879.20 | J/mol×K | 914.08 | Joback Calculated Property |
| Cp,gas | 892.16 | J/mol×K | 945.34 | Joback Calculated Property |
| η | [0.0000822; 0.0015312] | Pa×s | [411.57; 757.79] |
|
| η | 0.0015312 | Pa×s | 411.57 | Joback Calculated Property |
| η | 0.0006969 | Pa×s | 469.27 | Joback Calculated Property |
| η | 0.0003768 | Pa×s | 526.98 | Joback Calculated Property |
| η | 0.0002301 | Pa×s | 584.68 | Joback Calculated Property |
| η | 0.0001535 | Pa×s | 642.38 | Joback Calculated Property |
| η | 0.0001094 | Pa×s | 700.09 | Joback Calculated Property |
| η | 0.0000822 | Pa×s | 757.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionic acid, 3-iodo-, tetradecyl ester.
Sources
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