- InChI
- InChI=1S/C10H19ClO2/c1-10(12)13-9-7-5-3-2-4-6-8-11/h2-9H2,1H3
- InChI Key
- GMADNPIAEYOEIL-UHFFFAOYSA-N
- Formula
- C10H19ClO2
- SMILES
- CC(=O)OCCCCCCCCCl
- Molecular Weight1
- 206.71
- CAS
- 21727-90-2
- Other Names
-
- 1-Octanol, 8-chloro, acetate
- 8-Chloro-1-octanol, 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 | 0.6561 | Relay (1.0) Calculated Property | |
| ΔfG° | -288.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -604.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.129 | Crippen Calculated Property | |
| McVol | 171.440 | ml/mol | McGowan Calculated Property |
| Pc | 2047.46 | kPa | Joback Calculated Property |
| Inp | [1425.00; 1499.00] |
|
|
| Inp | 1435.00 | NIST | |
| Inp | 1452.00 | NIST | |
| Inp | 1435.00 | NIST | |
| Inp | 1425.00 | NIST | |
| Inp | 1451.00 | NIST | |
| Inp | 1456.00 | NIST | |
| Inp | 1458.00 | NIST | |
| Inp | 1459.00 | NIST | |
| Inp | Outlier 1499.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1435.00 | NIST | |
| Inp | 1456.00 | NIST | |
| Ip | [1987.00; 2006.00] |
|
|
| Ip | 1987.00 | NIST | |
| Ip | 1994.00 | NIST | |
| Ip | 2006.00 | NIST | |
| Tboil | 523.95 | K | Relay (1.0) Calculated Property |
| Tc | 710.45 | K | Relay (1.0) Calculated Property |
| Tfus | 260.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.653 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.36; 551.62] | 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 | 3.20980e+01 | |||
| Coefficient B | 9.05820e-01 | |||
| Coefficient C | -4.46000e-04 | |||
| Coefficient D | 5.97000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 247.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 299.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 346.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 388.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 426.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 459.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 488.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 513.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 534.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 551.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0046930; 0.0002599] | Pa×s | [274.71; 489.16] |
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 | -1.19617e+01 | |||
| Coefficient B | 1.81308e+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. | 274.71 | |||
| Temperature range, max. | 489.16 | |||
| η | 0.0046930 | Pa×s | 274.71 | Calculated Property |
| η | 0.0027712 | Pa×s | 298.54 | Calculated Property |
| η | 0.0017690 | Pa×s | 322.36 | Calculated Property |
| η | 0.0012012 | Pa×s | 346.19 | Calculated Property |
| η | 0.0008573 | Pa×s | 370.02 | Calculated Property |
| η | 0.0006374 | Pa×s | 393.85 | Calculated Property |
| η | 0.0004902 | Pa×s | 417.67 | Calculated Property |
| η | 0.0003878 | Pa×s | 441.50 | Calculated Property |
| η | 0.0003142 | Pa×s | 465.33 | Calculated Property |
| η | 0.0002599 | Pa×s | 489.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, 8-chlorooctyl ester.
Sources
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