- InChI
- InChI=1S/C8H17ClO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2
- InChI Key
- YDFAJMDFCCJZSI-UHFFFAOYSA-N
- Formula
- C8H17ClO
- SMILES
- OCCCCCCCCCl
- Molecular Weight1
- 164.67
- CAS
- 23144-52-7
- Other Names
-
- 1-Octanol, 8-chloro-
- 8-chlorooctan-1-ol
- 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 | 0.7518 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -401.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.558 | Crippen Calculated Property | |
| McVol | 141.690 | ml/mol | McGowan Calculated Property |
| Pc | 2681.86 | kPa | Joback Calculated Property |
| Inp | [1351.70; 1351.70] |
|
|
| Inp | 1351.70 | NIST | |
| Inp | 1351.70 | NIST | |
| Tboil | 518.20 | K | Relay (1.0) Calculated Property |
| Tc | 732.30 | K | Relay (1.0) Calculated Property |
| Tfus | 279.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.534 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.10; 459.00] | 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 | 1.37980e+01 | |||
| Coefficient B | 8.04600e-01 | |||
| Coefficient C | -4.62200e-04 | |||
| Coefficient D | 1.02800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 201.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 245.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 284.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 319.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 350.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 378.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 402.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 424.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 442.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 459.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0261311; 0.0002407] | Pa×s | [270.66; 474.34] |
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 | -1.45610e+01 | |||
| Coefficient B | 2.95463e+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. | 270.66 | |||
| Temperature range, max. | 474.34 | |||
| η | 0.0261311 | Pa×s | 270.66 | Calculated Property |
| η | 0.0112547 | Pa×s | 293.29 | Calculated Property |
| η | 0.0054692 | Pa×s | 315.92 | Calculated Property |
| η | 0.0029269 | Pa×s | 338.55 | Calculated Property |
| η | 0.0016941 | Pa×s | 361.18 | Calculated Property |
| η | 0.0010458 | Pa×s | 383.82 | Calculated Property |
| η | 0.0006812 | Pa×s | 406.45 | Calculated Property |
| η | 0.0004643 | Pa×s | 429.08 | Calculated Property |
| η | 0.0003288 | Pa×s | 451.71 | Calculated Property |
| η | 0.0002407 | Pa×s | 474.34 | Calculated Property |
Similar Compounds
Find more compounds similar to 8-Chloro-1-octanol.
Sources
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