- InChI
- InChI=1S/C15H29ClO2/c1-3-4-5-6-7-8-9-10-11-12-18-15(17)13-14(2)16/h14H,3-13H2,1-2H3
- InChI Key
- ANPLFFNNFIHAGT-UHFFFAOYSA-N
- Formula
- C15H29ClO2
- SMILES
- CCCCCCCCCCCOC(=O)CC(C)Cl
- Molecular Weight1
- 276.84
- Other Names
-
- Butanoic acid, 3-chloro, undecyl ester
- 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.
- 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 | 0.7983 | Relay (1.0) Calculated Property | |
| ΔfG° | -172.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -711.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.078 | Crippen Calculated Property | |
| McVol | 241.890 | ml/mol | McGowan Calculated Property |
| Pc | 1433.72 | kPa | Joback Calculated Property |
| Inp | [1823.00; 1839.00] |
|
|
| Inp | 1823.00 | NIST | |
| Inp | 1829.00 | NIST | |
| Inp | 1836.00 | NIST | |
| Inp | 1839.00 | NIST | |
| Inp | 1838.00 | NIST | |
| Inp | 1834.00 | NIST | |
| Inp | 1823.00 | NIST | |
| Inp | 1834.00 | NIST | |
| Tboil | 558.94 | K | Relay (1.0) Calculated Property |
| Tc | 751.01 | K | Relay (1.0) Calculated Property |
| Tfus | 278.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.916 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.43; 745.72] | J/mol×K | [655.88; 830.56] |
|
| Cp,gas | 655.43 | J/mol×K | 655.88 | Joback Calculated Property |
| Cp,gas | 672.35 | J/mol×K | 684.99 | Joback Calculated Property |
| Cp,gas | 688.50 | J/mol×K | 714.11 | Joback Calculated Property |
| Cp,gas | 703.90 | J/mol×K | 743.22 | Joback Calculated Property |
| Cp,gas | 718.56 | J/mol×K | 772.34 | Joback Calculated Property |
| Cp,gas | 732.49 | J/mol×K | 801.45 | Joback Calculated Property |
| Cp,gas | 745.72 | J/mol×K | 830.56 | Joback Calculated Property |
| η | [0.0001161; 0.0026899] | Pa×s | [345.89; 655.88] |
|
| η | 0.0026899 | Pa×s | 345.89 | Joback Calculated Property |
| η | 0.0011334 | Pa×s | 397.56 | Joback Calculated Property |
| η | 0.0005826 | Pa×s | 449.22 | Joback Calculated Property |
| η | 0.0003436 | Pa×s | 500.88 | Joback Calculated Property |
| η | 0.0002236 | Pa×s | 552.55 | Joback Calculated Property |
| η | 0.0001566 | Pa×s | 604.21 | Joback Calculated Property |
| η | 0.0001161 | Pa×s | 655.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undecyl 3-chlorobutanoate.
Sources
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