- InChI
- InChI=1S/C13H25ClO2/c1-3-4-5-6-7-8-9-10-13(14)11-16-12(2)15/h13H,3-11H2,1-2H3
- InChI Key
- DTMBCKHHJOBNSN-UHFFFAOYSA-N
- Formula
- C13H25ClO2
- SMILES
- CCCCCCCCCC(Cl)COC(C)=O
- Molecular Weight1
- 248.79
- Other Names
-
- 2-Chloroundecyl acetate
- 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 | 0.7038 | Relay (... Calculated Property | |
| ΔfG° | -189.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.63 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.70 | kJ/mol | Relay (... Calculated Property |
| IE | 9.77 | eV | Relay (... Calculated Property |
| log10WS | -4.89 | Relay (... Calculated Property | |
| logPoct/wat | 4.298 | Crippen Calculated Property | |
| McVol | 213.710 | ml/mol | McGowan Calculated Property |
| Pc | 1667.33 | kPa | Joback Calculated Property |
| Inp | [1637.00; 1649.00] |
|
|
| Inp | 1637.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Inp | 1646.00 | NIST | |
| Inp | 1646.00 | NIST | |
| Inp | 1649.00 | NIST | |
| I | [2070.00; 2099.00] |
|
|
| I | 2070.00 | NIST | |
| I | 2072.00 | NIST | |
| I | 2080.00 | NIST | |
| I | 2086.00 | NIST | |
| I | 2099.00 | NIST | |
| Tboil | 552.03 | K | Relay (... Calculated Property |
| Tc | 725.98 | K | Relay (... Calculated Property |
| Tfus | 265.86 | K | Relay (... Calculated Property |
| Vc | 0.806 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.21; 633.51] | J/mol×K | [610.12; 786.44] |
|
| Cp,gas | 548.21 | J/mol×K | 610.12 | Joback Calculated Property |
| Cp,gas | 564.14 | J/mol×K | 639.51 | Joback Calculated Property |
| Cp,gas | 579.37 | J/mol×K | 668.89 | Joback Calculated Property |
| Cp,gas | 593.91 | J/mol×K | 698.28 | Joback Calculated Property |
| Cp,gas | 607.77 | J/mol×K | 727.67 | Joback Calculated Property |
| Cp,gas | 620.96 | J/mol×K | 757.05 | Joback Calculated Property |
| Cp,gas | 633.51 | J/mol×K | 786.44 | Joback Calculated Property |
| η | [0.0001484; 0.0031957] | Pa×s | [323.35; 610.12] |
|
| η | 0.0031957 | Pa×s | 323.35 | Joback Calculated Property |
| η | 0.0013781 | Pa×s | 371.14 | Joback Calculated Property |
| η | 0.0007200 | Pa×s | 418.94 | Joback Calculated Property |
| η | 0.0004297 | Pa×s | 466.74 | Joback Calculated Property |
| η | 0.0002822 | Pa×s | 514.53 | Joback Calculated Property |
| η | 0.0001991 | Pa×s | 562.33 | Joback Calculated Property |
| η | 0.0001484 | Pa×s | 610.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Undecanol, 2-chloro, acetate.
Sources
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