- InChI
- InChI=1S/C10H13ClO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3
- InChI Key
- HGKWMUBXVMFXNC-UHFFFAOYSA-N
- Formula
- C10H13ClO3S
- SMILES
- CCCCOc1ccc(S(=O)(=O)Cl)cc1
- Molecular Weight1
- 248.73
- CAS
- 1138-56-3
- Other Names
-
- Benzenesulfonyl chloride, 4-butoxy-
- 4-butoxybenzenesulphonyl chloride
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.6518 | Relay (1.0) Calculated Property | |
| ΔfG° | -449.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -481.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.793 | Crippen Calculated Property | |
| McVol | 174.200 | ml/mol | McGowan Calculated Property |
| Pc | 3224.64 | kPa | Joback Calculated Property |
| Tboil | 586.62 | K | Relay (1.0) Calculated Property |
| Tc | 808.74 | K | Relay (1.0) Calculated Property |
| Tfus | 349.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.620 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.83; 461.29] | J/mol×K | [567.49; 770.00] | 
|
| Cp,gas | 389.83 | J/mol×K | 567.49 | Joback Calculated Property |
| Cp,gas | 403.62 | J/mol×K | 601.24 | Joback Calculated Property |
| Cp,gas | 416.65 | J/mol×K | 634.99 | Joback Calculated Property |
| Cp,gas | 428.94 | J/mol×K | 668.75 | Joback Calculated Property |
| Cp,gas | 440.47 | J/mol×K | 702.50 | Joback Calculated Property |
| Cp,gas | 451.26 | J/mol×K | 736.25 | Joback Calculated Property |
| Cp,gas | 461.29 | J/mol×K | 770.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(n-Butoxy)benzenesulfonyl chloride.
Sources
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