- InChI
- InChI=1S/C21H41IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21(23)18-19-22/h2-20H2,1H3
- InChI Key
- XOHCTGSZYYCPOD-UHFFFAOYSA-N
- Formula
- C21H41IO2
- SMILES
- CCCCCCCCCCCCCCCCCCOC(=O)CCI
- Molecular Weight1
- 452.45
- 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 | 1.0420 | Relay (1.0) Calculated Property | |
| ΔfG° | -49.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -728.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.616 | Crippen Calculated Property | |
| McVol | 340.010 | ml/mol | McGowan Calculated Property |
| Pc | 970.49 | kPa | Joback Calculated Property |
| Inp | 2785.00 | NIST | |
| Tboil | 649.54 | K | Relay (1.0) Calculated Property |
| Tc | 837.36 | K | Relay (1.0) Calculated Property |
| Tfus | 316.36 | K | Relay (1.0) Calculated Property |
| Vc | 1.285 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1041.16; 1137.90] | J/mol×K | [849.31; 1042.70] | 
|
| Cp,gas | 1041.16 | J/mol×K | 849.31 | Joback Calculated Property |
| Cp,gas | 1059.75 | J/mol×K | 881.54 | Joback Calculated Property |
| Cp,gas | 1077.30 | J/mol×K | 913.77 | Joback Calculated Property |
| Cp,gas | 1093.84 | J/mol×K | 946.00 | Joback Calculated Property |
| Cp,gas | 1109.42 | J/mol×K | 978.24 | Joback Calculated Property |
| Cp,gas | 1124.10 | J/mol×K | 1010.47 | Joback Calculated Property |
| Cp,gas | 1137.90 | J/mol×K | 1042.70 | Joback Calculated Property |
| η | [0.0000453; 0.0009562] | Pa×s | [456.65; 849.31] |
|
| η | 0.0009562 | Pa×s | 456.65 | Joback Calculated Property |
| η | 0.0004184 | Pa×s | 522.09 | Joback Calculated Property |
| η | 0.0002200 | Pa×s | 587.54 | Joback Calculated Property |
| η | 0.0001316 | Pa×s | 652.98 | Joback Calculated Property |
| η | 0.0000865 | Pa×s | 718.42 | Joback Calculated Property |
| η | 0.0000610 | Pa×s | 783.87 | Joback Calculated Property |
| η | 0.0000453 | Pa×s | 849.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionic acid, 3-iodo-, octadecyl ester.
Sources
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