- InChI
- InChI=1S/C10H19ClO2/c1-2-3-4-5-6-9-13-10(12)7-8-11/h2-9H2,1H3
- InChI Key
- BQZQUWKYBJWQNL-UHFFFAOYSA-N
- Formula
- C10H19ClO2
- SMILES
- CCCCCCCOC(=O)CCCl
- Molecular Weight1
- 206.71
- CAS
- 74306-04-0
- Other Names
-
- Propanoic acid, 3-chloro, heptyl ester
- Heptyl 3-chloropropanoate
- 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° | -212.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.02 | Crippen Calculated Property | |
| logPoct/wat | 3.129 | Crippen Calculated Property | |
| McVol | 171.440 | ml/mol | McGowan Calculated Property |
| Pc | 2125.60 | kPa | Joback Calculated Property |
| Inp | [1385.00; 1405.00] |
|
|
| Inp | 1387.00 | NIST | |
| Inp | 1386.00 | NIST | |
| Inp | 1391.00 | NIST | |
| Inp | 1393.00 | NIST | |
| Inp | 1394.00 | NIST | |
| Inp | 1399.00 | NIST | |
| Inp | 1385.00 | NIST | |
| Inp | 1402.00 | NIST | |
| Inp | 1405.00 | NIST | |
| Inp | 1387.00 | NIST | |
| Inp | 1399.00 | NIST | |
| I | [1828.00; 1912.00] |
|
|
| I | 1848.00 | NIST | |
| I | 1828.00 | NIST | |
| I | 1871.00 | NIST | |
| I | 1874.00 | NIST | |
| I | 1883.00 | NIST | |
| I | 1895.00 | NIST | |
| I | 1912.00 | NIST | |
| I | 1848.00 | NIST | |
| I | 1895.00 | NIST | |
| Tboil | 541.92 | K | Joback Calculated Property |
| Tc | 719.34 | K | Joback Calculated Property |
| Tfus | 304.54 | K | Joback Calculated Property |
| Vc | 0.668 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.46; 472.05] | J/mol×K | [541.92; 719.34] |
|
| Cp,gas | 398.46 | J/mol×K | 541.92 | Joback Calculated Property |
| Cp,gas | 412.10 | J/mol×K | 571.49 | Joback Calculated Property |
| Cp,gas | 425.18 | J/mol×K | 601.06 | Joback Calculated Property |
| Cp,gas | 437.70 | J/mol×K | 630.63 | Joback Calculated Property |
| Cp,gas | 449.68 | J/mol×K | 660.20 | Joback Calculated Property |
| Cp,gas | 461.13 | J/mol×K | 689.77 | Joback Calculated Property |
| Cp,gas | 472.05 | J/mol×K | 719.34 | Joback Calculated Property |
| η | [0.0002192; 0.0028840] | Pa×s | [304.54; 541.92] |
|
| η | 0.0028840 | Pa×s | 304.54 | Joback Calculated Property |
| η | 0.0014664 | Pa×s | 344.10 | Joback Calculated Property |
| η | 0.0008572 | Pa×s | 383.67 | Joback Calculated Property |
| η | 0.0005540 | Pa×s | 423.23 | Joback Calculated Property |
| η | 0.0003858 | Pa×s | 462.79 | Joback Calculated Property |
| η | 0.0002844 | Pa×s | 502.36 | Joback Calculated Property |
| η | 0.0002192 | Pa×s | 541.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloropropionic acid, heptyl ester.
Sources
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