- InChI
- InChI=1S/C9H15ClO2/c1-3-5-8(10)6-7-12-9(11)4-2/h3,5,8H,4,6-7H2,1-2H3/b5-3+
- InChI Key
- DFUVFMSOKNEYIW-HWKANZROSA-N
- Formula
- C9H15ClO2
- SMILES
- CC=CC(Cl)CCOC(=O)CC
- Molecular Weight1
- 190.67
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔfG° | -143.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -377.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.74 | kJ/mol | Joback Calculated Property |
| log10WS | -2.57 | Crippen Calculated Property | |
| logPoct/wat | 2.513 | Crippen Calculated Property | |
| McVol | 153.050 | ml/mol | McGowan Calculated Property |
| Pc | 2467.81 | kPa | Joback Calculated Property |
| Inp | [1170.00; 1196.00] |
|
|
| Inp | 1176.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1176.00 | NIST | |
| I | [1695.00; 1708.00] |
|
|
| I | 1698.00 | NIST | |
| I | 1695.00 | NIST | |
| I | 1708.00 | NIST | |
| I | 1698.00 | NIST | |
| Tboil | 522.76 | K | Joback Calculated Property |
| Tc | 713.52 | K | Joback Calculated Property |
| Tfus | 273.19 | K | Joback Calculated Property |
| Vc | 0.587 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.35; 401.81] | J/mol×K | [522.76; 713.52] |
|
| Cp,gas | 334.35 | J/mol×K | 522.76 | Joback Calculated Property |
| Cp,gas | 347.04 | J/mol×K | 554.55 | Joback Calculated Property |
| Cp,gas | 359.13 | J/mol×K | 586.35 | Joback Calculated Property |
| Cp,gas | 370.63 | J/mol×K | 618.14 | Joback Calculated Property |
| Cp,gas | 381.57 | J/mol×K | 649.93 | Joback Calculated Property |
| Cp,gas | 391.96 | J/mol×K | 681.73 | Joback Calculated Property |
| Cp,gas | 401.81 | J/mol×K | 713.52 | Joback Calculated Property |
| η | [0.0001917; 0.0038164] | Pa×s | [273.19; 522.76] |
|
| η | 0.0038164 | Pa×s | 273.19 | Joback Calculated Property |
| η | 0.0016677 | Pa×s | 314.78 | Joback Calculated Property |
| η | 0.0008841 | Pa×s | 356.38 | Joback Calculated Property |
| η | 0.0005352 | Pa×s | 397.98 | Joback Calculated Property |
| η | 0.0003563 | Pa×s | 439.57 | Joback Calculated Property |
| η | 0.0002545 | Pa×s | 481.16 | Joback Calculated Property |
| η | 0.0001917 | Pa×s | 522.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-chloro, 4-pentenyl ester.
Sources
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