- InChI
- InChI=1S/C7H15ClO2/c1-2-3-4-10-6-7(9)5-8/h7,9H,2-6H2,1H3
- InChI Key
- IZHGMMBZJWHGND-UHFFFAOYSA-N
- Formula
- C7H15ClO2
- SMILES
- CCCCOCC(O)CCl
- Molecular Weight1
- 166.65
- 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 | 0.6674 | Relay (1.0) Calculated Property | |
| ΔfG° | -248.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.403 | Crippen Calculated Property | |
| McVol | 133.470 | ml/mol | McGowan Calculated Property |
| Pc | 2940.89 | kPa | Joback Calculated Property |
| Inp | 1150.00 | NIST | |
| Tboil | 480.17 | K | Relay (1.0) Calculated Property |
| Tc | 678.84 | K | Relay (1.0) Calculated Property |
| Tfus | 227.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.491 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.97; 426.44] | 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 | 3.85250e+01 | |||
| Coefficient B | 6.52320e-01 | |||
| Coefficient C | -3.00000e-04 | |||
| Coefficient D | 3.56000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 194.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 233.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 268.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 299.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 328.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 353.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 376.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 395.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 412.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 426.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0289638; 0.0001972] | Pa×s | [266.62; 476.49] |
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 | -1.48701e+01 | |||
| Coefficient B | 3.02038e+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. | 266.62 | |||
| Temperature range, max. | 476.49 | |||
| η | 0.0289638 | Pa×s | 266.62 | Calculated Property |
| η | 0.0116459 | Pa×s | 289.94 | Calculated Property |
| η | 0.0053629 | Pa×s | 313.26 | Calculated Property |
| η | 0.0027497 | Pa×s | 336.58 | Calculated Property |
| η | 0.0015374 | Pa×s | 359.89 | Calculated Property |
| η | 0.0009226 | Pa×s | 383.21 | Calculated Property |
| η | 0.0005870 | Pa×s | 406.53 | Calculated Property |
| η | 0.0003923 | Pa×s | 429.85 | Calculated Property |
| η | 0.0002733 | Pa×s | 453.17 | Calculated Property |
| η | 0.0001972 | Pa×s | 476.49 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanol, 1-chloro-3-butoxy.
Sources
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