- InChI
- InChI=1S/C16H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-16(18)13-12-14-17/h2-15H2,1H3
- InChI Key
- AMCRHNDYMZXQRU-UHFFFAOYSA-N
- Formula
- C16H31ClO2
- SMILES
- CCCCCCCCCCCCOC(=O)CCCCl
- Molecular Weight1
- 290.87
- Other Names
-
- Butanoic acid, 4-chloro, dodecyl ester
- 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.
- 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° | -162.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -634.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.75 | kJ/mol | Joback Calculated Property |
| log10WS | -5.54 | Crippen Calculated Property | |
| logPoct/wat | 5.470 | Crippen Calculated Property | |
| McVol | 255.980 | ml/mol | McGowan Calculated Property |
| Pc | 1327.14 | kPa | Joback Calculated Property |
| Inp | [1991.00; 2016.00] |
|
|
| Inp | 1991.00 | NIST | |
| Inp | 2001.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Inp | 2012.00 | NIST | |
| Inp | 2014.00 | NIST | |
| Inp | 2016.00 | NIST | |
| Inp | 1991.00 | NIST | |
| Inp | 2016.00 | NIST | |
| Tboil | 679.20 | K | Joback Calculated Property |
| Tc | 851.53 | K | Joback Calculated Property |
| Tfus | 372.16 | K | Joback Calculated Property |
| Vc | 1.004 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.59; 801.97] | J/mol×K | [679.20; 851.53] |
|
| Cp,gas | 710.59 | J/mol×K | 679.20 | Joback Calculated Property |
| Cp,gas | 727.71 | J/mol×K | 707.92 | Joback Calculated Property |
| Cp,gas | 744.05 | J/mol×K | 736.64 | Joback Calculated Property |
| Cp,gas | 759.63 | J/mol×K | 765.36 | Joback Calculated Property |
| Cp,gas | 774.47 | J/mol×K | 794.09 | Joback Calculated Property |
| Cp,gas | 788.57 | J/mol×K | 822.81 | Joback Calculated Property |
| Cp,gas | 801.97 | J/mol×K | 851.53 | Joback Calculated Property |
| η | [0.0001101; 0.0019268] | Pa×s | [372.16; 679.20] |
|
| η | 0.0019268 | Pa×s | 372.16 | Joback Calculated Property |
| η | 0.0008962 | Pa×s | 423.33 | Joback Calculated Property |
| η | 0.0004917 | Pa×s | 474.51 | Joback Calculated Property |
| η | 0.0003032 | Pa×s | 525.68 | Joback Calculated Property |
| η | 0.0002037 | Pa×s | 576.85 | Joback Calculated Property |
| η | 0.0001460 | Pa×s | 628.03 | Joback Calculated Property |
| η | 0.0001101 | Pa×s | 679.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dodecyl 4-chlorobutanoate.
Sources
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