- InChI
- InChI=1S/C13H25ClO2/c1-13(15)16-12-10-8-6-4-2-3-5-7-9-11-14/h2-12H2,1H3
- InChI Key
- MLHDGBPDPWJTCG-UHFFFAOYSA-N
- Formula
- C13H25ClO2
- SMILES
- CC(=O)OCCCCCCCCCCCCl
- Molecular Weight1
- 248.79
- Other Names
-
- 11-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.
- Ip : 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 | 0.7636 | Relay (1.0) Calculated Property | |
| ΔfG° | -263.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -668.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.299 | Crippen Calculated Property | |
| McVol | 213.710 | ml/mol | McGowan Calculated Property |
| Pc | 1602.56 | kPa | Joback Calculated Property |
| Inp | [1752.00; 1769.00] |
|
|
| Inp | 1752.00 | NIST | |
| Inp | 1759.00 | NIST | |
| Inp | 1764.00 | NIST | |
| Inp | 1768.00 | NIST | |
| Inp | 1769.00 | NIST | |
| Inp | 1752.00 | NIST | |
| Ip | [2285.00; 2336.00] |
|
|
| Ip | 2285.00 | NIST | |
| Ip | 2294.00 | NIST | |
| Ip | 2311.00 | NIST | |
| Ip | 2320.00 | NIST | |
| Ip | 2336.00 | NIST | |
| Ip | 2285.00 | NIST | |
| Tboil | 558.58 | K | Relay (1.0) Calculated Property |
| Tc | 748.03 | K | Relay (1.0) Calculated Property |
| Tfus | 284.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.820 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.00; 706.39] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.93710e+01 | |||
| Coefficient B | 1.19082e+00 | |||
| Coefficient C | -6.09200e-04 | |||
| Coefficient D | 9.54000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 311.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 378.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 439.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 494.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 542.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 585.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 623.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 655.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 683.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 706.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037685; 0.0002131] | Pa×s | [308.52; 534.61] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.23734e+01 | |||
| Coefficient B | 2.09556e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 308.52 | |||
| Temperature range, max. | 534.61 | |||
| η | 0.0037685 | Pa×s | 308.52 | Calculated Property |
| η | 0.0022597 | Pa×s | 333.64 | Calculated Property |
| η | 0.0014556 | Pa×s | 358.76 | Calculated Property |
| η | 0.0009932 | Pa×s | 383.88 | Calculated Property |
| η | 0.0007103 | Pa×s | 409.01 | Calculated Property |
| η | 0.0005281 | Pa×s | 434.13 | Calculated Property |
| η | 0.0004055 | Pa×s | 459.25 | Calculated Property |
| η | 0.0003201 | Pa×s | 484.37 | Calculated Property |
| η | 0.0002586 | Pa×s | 509.49 | Calculated Property |
| η | 0.0002131 | Pa×s | 534.61 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Undecanol, 11-chloro, acetate.
Sources
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