- InChI
- InChI=1S/C11H15ClO/c1-10-5-4-6-11(9-10)13-8-3-2-7-12/h4-6,9H,2-3,7-8H2,1H3
- InChI Key
- FVBUVUOPHWUVCR-UHFFFAOYSA-N
- Formula
- C11H15ClO
- SMILES
- Cc1cccc(OCCCCCl)c1
- Molecular Weight1
- 198.69
- CAS
- 71648-39-0
- Other Names
-
- 1-(4-chlorobutoxy)-3-methylbenzene
- 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 | 0.5649 | Relay (1.0) Calculated Property | |
| ΔfG° | 27.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -220.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.393 | Crippen Calculated Property | |
| McVol | 160.200 | ml/mol | McGowan Calculated Property |
| Pc | 2470.27 | kPa | Joback Calculated Property |
| Inp | [1522.80; 1522.80] |
|
|
| Inp | 1522.80 | NIST | |
| Inp | 1522.80 | NIST | |
| Tboil | 538.56 | K | Relay (1.0) Calculated Property |
| Tc | 760.89 | K | Relay (1.0) Calculated Property |
| Tfus | 255.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.581 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.94; 492.03] | 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 | 1.16740e+01 | |||
| Coefficient B | 8.54020e-01 | |||
| Coefficient C | -4.48160e-04 | |||
| Coefficient D | 7.45000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 212.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 261.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 304.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 342.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 377.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 407.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 433.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 456.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 475.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 492.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018569; 0.0001999] | Pa×s | [304.82; 524.56] |
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 | -1.16092e+01 | |||
| Coefficient B | 1.62177e+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. | 304.82 | |||
| Temperature range, max. | 524.56 | |||
| η | 0.0018569 | Pa×s | 304.82 | Calculated Property |
| η | 0.0012516 | Pa×s | 329.24 | Calculated Property |
| η | 0.0008908 | Pa×s | 353.65 | Calculated Property |
| η | 0.0006624 | Pa×s | 378.07 | Calculated Property |
| η | 0.0005107 | Pa×s | 402.48 | Calculated Property |
| η | 0.0004056 | Pa×s | 426.90 | Calculated Property |
| η | 0.0003302 | Pa×s | 451.31 | Calculated Property |
| η | 0.0002746 | Pa×s | 475.73 | Calculated Property |
| η | 0.0002325 | Pa×s | 500.14 | Calculated Property |
| η | 0.0001999 | Pa×s | 524.56 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobutyl m-tolyl ether.
Sources
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