- InChI
- InChI=1S/C8H17Cl/c1-3-5-7-8(9)6-4-2/h8H,3-7H2,1-2H3
- InChI Key
- SRGMFDQMGOZQPO-UHFFFAOYSA-N
- Formula
- C8H17Cl
- SMILES
- CCCCC(Cl)CCC
- Molecular Weight1
- 148.67
- CAS
- 999-07-5
- Other Names
-
- 4-Chlorooctane
- 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).
- Pvap : Vapor 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 | 0.4037 | Relay (1.0) Calculated Property | |
| ΔfG° | 2.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -229.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.584 | Crippen Calculated Property | |
| McVol | 135.820 | ml/mol | McGowan Calculated Property |
| Pc | 2462.92 | kPa | Joback Calculated Property |
| Inp | [997.00; 997.00] |
|
|
| Inp | 997.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 997.00 | NIST | |
| I | [1149.00; 1149.00] |
|
|
| I | 1149.00 | NIST | |
| I | 1149.00 | NIST | |
| Tboil | 433.06 | K | Relay (1.0) Calculated Property |
| Tc | 621.83 | K | Relay (1.0) Calculated Property |
| Tfus | 191.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.515 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.28; 440.86] | 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 | 6.82500e+00 | |||
| Coefficient B | 7.76540e-01 | |||
| Coefficient C | -4.35000e-04 | |||
| Coefficient D | 9.25000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 188.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 231.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 269.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 304.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 334.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 361.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 385.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 406.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 424.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 440.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0088497; 0.0002744] | Pa×s | [194.84; 416.07] |
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 | -1.12602e+01 | |||
| Coefficient B | 1.27286e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 194.84 | |||
| Temperature range, max. | 416.07 | |||
| η | 0.0088497 | Pa×s | 194.84 | Calculated Property |
| η | 0.0042568 | Pa×s | 219.42 | Calculated Property |
| η | 0.0023729 | Pa×s | 244.00 | Calculated Property |
| η | 0.0014721 | Pa×s | 268.58 | Calculated Property |
| η | 0.0009894 | Pa×s | 293.17 | Calculated Property |
| η | 0.0007071 | Pa×s | 317.75 | Calculated Property |
| η | 0.0005303 | Pa×s | 342.33 | Calculated Property |
| η | 0.0004134 | Pa×s | 366.91 | Calculated Property |
| η | 0.0003325 | Pa×s | 391.49 | Calculated Property |
| η | 0.0002744 | Pa×s | 416.07 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [336.12; 480.16] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47709e+01 | |||
| Coefficient B | -3.92812e+03 | |||
| Coefficient C | -6.49020e+01 | |||
| Temperature range, min. | 336.12 | |||
| Temperature range, max. | 480.16 | |||
| Pvap | 1.33 | kPa | 336.12 | Calculated Property |
| Pvap | 2.99 | kPa | 352.12 | Calculated Property |
| Pvap | 6.15 | kPa | 368.13 | Calculated Property |
| Pvap | 11.77 | kPa | 384.13 | Calculated Property |
| Pvap | 21.19 | kPa | 400.14 | Calculated Property |
| Pvap | 36.14 | kPa | 416.14 | Calculated Property |
| Pvap | 58.83 | kPa | 432.15 | Calculated Property |
| Pvap | 91.96 | kPa | 448.15 | Calculated Property |
| Pvap | 138.68 | kPa | 464.16 | Calculated Property |
| Pvap | 202.63 | kPa | 480.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 4-chloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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