- InChI
- InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
- InChI Key
- XZBXAYCCBFTQHH-UHFFFAOYSA-N
- Formula
- C9H11Cl
- SMILES
- ClCCCc1ccccc1
- Molecular Weight1
- 154.64
- CAS
- 104-52-9
- Other Names
-
- (3-Chloropropyl)benzene
- 1-Chloro-3-phenylpropane
- 3-Chloro-1-phenylpropane
- 3-Phenyl-1-chloropropane
- 3-Phenylpropyl chloride
- NSC 16939
- «gamma»-Chloropropylbenzene
- «gamma»-Phenylpropyl chloride
- «gamma»-Chloropropylbenzene
- «gamma»-Phenylpropyl chloride
- 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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3969 | Relay (1.0) Calculated Property | |
| ΔfG° | 125.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -6.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.858 | Crippen Calculated Property | |
| McVol | 126.150 | ml/mol | McGowan Calculated Property |
| Pc | 3127.99 | kPa | Joback Calculated Property |
| Inp | [1164.00; 1186.60] |
|
|
| Inp | 1186.60 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Tboil | 492.70 | K | NIST |
| Tc | 710.58 | K | Relay (1.0) Calculated Property |
| Tfus | 216.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.456 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.47; 311.22] | J/mol×K | [469.43; 683.10] |
|
| Cp,gas | 242.47 | J/mol×K | 469.43 | Joback Calculated Property |
| Cp,gas | 255.84 | J/mol×K | 505.04 | Joback Calculated Property |
| Cp,gas | 268.39 | J/mol×K | 540.65 | Joback Calculated Property |
| Cp,gas | 280.18 | J/mol×K | 576.26 | Joback Calculated Property |
| Cp,gas | 291.22 | J/mol×K | 611.88 | Joback Calculated Property |
| Cp,gas | 301.55 | J/mol×K | 647.49 | Joback Calculated Property |
| Cp,gas | 311.22 | J/mol×K | 683.10 | Joback Calculated Property |
| η | [0.0002568; 0.0034650] | Pa×s | [247.53; 469.43] |
|
| η | 0.0034650 | Pa×s | 247.53 | Joback Calculated Property |
| η | 0.0016941 | Pa×s | 284.51 | Joback Calculated Property |
| η | 0.0009765 | Pa×s | 321.50 | Joback Calculated Property |
| η | 0.0006306 | Pa×s | 358.48 | Joback Calculated Property |
| η | 0.0004420 | Pa×s | 395.46 | Joback Calculated Property |
| η | 0.0003292 | Pa×s | 432.45 | Joback Calculated Property |
| η | 0.0002568 | Pa×s | 469.43 | Joback Calculated Property |
| ρl | 1041.84 | kg/m3 | 298.15 | Excess Enthalpies of Chloroalkylbenzene + Alkylbenzene Mixtures |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 383.20 | K | 2.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [364.12; 524.84] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42516e+01 | |||
| Coefficient B | -3.99389e+03 | |||
| Coefficient C | -7.81070e+01 | |||
| Temperature range, min. | 364.12 | |||
| Temperature range, max. | 524.84 | |||
| Pvap | 1.33 | kPa | 364.12 | Calculated Property |
| Pvap | 3.03 | kPa | 381.98 | Calculated Property |
| Pvap | 6.28 | kPa | 399.84 | Calculated Property |
| Pvap | 12.07 | kPa | 417.69 | Calculated Property |
| Pvap | 21.72 | kPa | 435.55 | Calculated Property |
| Pvap | 36.96 | kPa | 453.41 | Calculated Property |
| Pvap | 59.93 | kPa | 471.27 | Calculated Property |
| Pvap | 93.18 | kPa | 489.12 | Calculated Property |
| Pvap | 139.65 | kPa | 506.98 | Calculated Property |
| Pvap | 202.63 | kPa | 524.84 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (3-chloropropyl)-.
Mixtures
- Benzene + Benzene, (3-chloropropyl)-
- Toluene + Benzene, (3-chloropropyl)-
- Benzene, (3-chloropropyl)- + Ethylbenzene
- Benzene, (3-chloropropyl)- + Benzene, propyl-
- Benzene, n-butyl- + Benzene, (3-chloropropyl)-
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Excess Enthalpies of Chloroalkylbenzene + Alkylbenzene Mixtures
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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