- InChI
- InChI=1S/C17H33ClO2/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
- KUZUNHDCZIJWAO-UHFFFAOYSA-N
- Formula
- C17H33ClO2
- SMILES
- CCCCCCCCCCCCCCOC(=O)CCCl
- Molecular Weight1
- 304.90
- CAS
- 64120-16-7
- Other Names
-
- Propanoic acid, 3-chloro, tetradecyl ester
- Tetradecyl 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 | 0.9074 | Relay (1.0) Calculated Property | |
| ΔfG° | -153.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -740.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.860 | Crippen Calculated Property | |
| McVol | 270.070 | ml/mol | McGowan Calculated Property |
| Pc | 1238.96 | kPa | Joback Calculated Property |
| Inp | [2096.00; 2113.00] |
|
|
| Inp | 2096.00 | NIST | |
| Inp | 2105.00 | NIST | |
| Inp | 2104.00 | NIST | |
| Inp | 2106.00 | NIST | |
| Inp | 2113.00 | NIST | |
| Inp | 2110.00 | NIST | |
| Inp | 2105.00 | NIST | |
| Inp | 2096.00 | NIST | |
| Inp | 2110.00 | NIST | |
| I | [2572.00; 2613.00] |
|
|
| I | 2572.00 | NIST | |
| I | 2587.00 | NIST | |
| I | 2602.00 | NIST | |
| I | 2613.00 | NIST | |
| I | 2572.00 | NIST | |
| Tboil | 590.22 | K | Relay (1.0) Calculated Property |
| Tc | 780.88 | K | Relay (1.0) Calculated Property |
| Tfus | 291.01 | K | Relay (1.0) Calculated Property |
| Vc | 1.036 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [767.38; 860.88] | J/mol×K | [702.08; 874.86] |
|
| Cp,gas | 767.38 | J/mol×K | 702.08 | Joback Calculated Property |
| Cp,gas | 784.94 | J/mol×K | 730.88 | Joback Calculated Property |
| Cp,gas | 801.69 | J/mol×K | 759.67 | Joback Calculated Property |
| Cp,gas | 817.63 | J/mol×K | 788.47 | Joback Calculated Property |
| Cp,gas | 832.80 | J/mol×K | 817.27 | Joback Calculated Property |
| Cp,gas | 847.21 | J/mol×K | 846.07 | Joback Calculated Property |
| Cp,gas | 860.88 | J/mol×K | 874.86 | Joback Calculated Property |
| η | [0.0000966; 0.0017567] | Pa×s | [383.43; 702.08] |
|
| η | 0.0017567 | Pa×s | 383.43 | Joback Calculated Property |
| η | 0.0008072 | Pa×s | 436.54 | Joback Calculated Property |
| η | 0.0004391 | Pa×s | 489.65 | Joback Calculated Property |
| η | 0.0002691 | Pa×s | 542.75 | Joback Calculated Property |
| η | 0.0001799 | Pa×s | 595.86 | Joback Calculated Property |
| η | 0.0001285 | Pa×s | 648.97 | Joback Calculated Property |
| η | 0.0000966 | Pa×s | 702.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloropropionic acid, tetradecyl ester.
Sources
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