- InChI
- InChI=1S/C11H21ClO2/c1-2-3-4-5-6-7-10-14-11(13)8-9-12/h2-10H2,1H3
- InChI Key
- APSFWUHAPFXKHS-UHFFFAOYSA-N
- Formula
- C11H21ClO2
- SMILES
- CCCCCCCCOC(=O)CCCl
- Molecular Weight1
- 220.74
- CAS
- 63505-50-0
- Other Names
-
- Propanoic acid, 3-chloro, octyl ester
- Octyl 3-chloropropanoate
- 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.
- 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 |
|---|---|---|---|
| ω | 0.6944 | Relay (1.0) Calculated Property | |
| ΔfG° | -204.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -614.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.519 | Crippen Calculated Property | |
| McVol | 185.530 | ml/mol | McGowan Calculated Property |
| Pc | 1949.23 | kPa | Joback Calculated Property |
| Inp | [1486.00; 1504.00] |
|
|
| Inp | 1486.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | 1504.00 | NIST | |
| I | [1926.00; 2012.00] |
|
|
| I | 1949.00 | NIST | |
| I | 1926.00 | NIST | |
| I | 1970.00 | NIST | |
| I | 1973.00 | NIST | |
| I | 1982.00 | NIST | |
| I | 1993.00 | NIST | |
| I | 2012.00 | NIST | |
| I | 1949.00 | NIST | |
| I | 1993.00 | NIST | |
| Tboil | 532.18 | K | Relay (1.0) Calculated Property |
| Tc | 716.91 | K | Relay (1.0) Calculated Property |
| Tfus | 246.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.699 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.60; 524.06] | J/mol×K | [564.80; 740.70] |
|
| Cp,gas | 446.60 | J/mol×K | 564.80 | Joback Calculated Property |
| Cp,gas | 460.98 | J/mol×K | 594.12 | Joback Calculated Property |
| Cp,gas | 474.76 | J/mol×K | 623.43 | Joback Calculated Property |
| Cp,gas | 487.95 | J/mol×K | 652.75 | Joback Calculated Property |
| Cp,gas | 500.56 | J/mol×K | 682.07 | Joback Calculated Property |
| Cp,gas | 512.59 | J/mol×K | 711.39 | Joback Calculated Property |
| Cp,gas | 524.06 | J/mol×K | 740.70 | Joback Calculated Property |
| η | [0.0001982; 0.0027568] | Pa×s | [315.81; 564.80] |
|
| η | 0.0027568 | Pa×s | 315.81 | Joback Calculated Property |
| η | 0.0013779 | Pa×s | 357.31 | Joback Calculated Property |
| η | 0.0007956 | Pa×s | 398.81 | Joback Calculated Property |
| η | 0.0005095 | Pa×s | 440.30 | Joback Calculated Property |
| η | 0.0003523 | Pa×s | 481.80 | Joback Calculated Property |
| η | 0.0002583 | Pa×s | 523.30 | Joback Calculated Property |
| η | 0.0001982 | Pa×s | 564.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloropropionic acid, octyl ester.
Sources
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