- InChI
- InChI=1S/C8H15ClO2/c1-3-4-5-11-8(10)6-7(2)9/h7H,3-6H2,1-2H3
- InChI Key
- CPWVMAYZTIUFPZ-UHFFFAOYSA-N
- Formula
- C8H15ClO2
- SMILES
- CCCCOC(=O)CC(C)Cl
- Molecular Weight1
- 178.66
- CAS
- 53815-59-1
- Other Names
-
- Butyl 3-chlorobutanoate
- n-Butyl 3-chlorobutyrate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | [-4704.50; -4695.30] | kJ/mol |
|
| ΔcH°liquid | -4704.50 ± 8.40 | kJ/mol | NIST |
| ΔcH°liquid | -4695.30 | kJ/mol | NIST |
| ΔfG° | -231.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.70 ± 9.60 | kJ/mol | NIST |
| ΔfH°liquid | -610.90 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 19.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.10 ± 4.20 | kJ/mol | NIST |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 2.347 | Crippen Calculated Property | |
| McVol | 143.260 | ml/mol | McGowan Calculated Property |
| Pc | 2579.34 | kPa | Joback Calculated Property |
| Inp | [1126.00; 1145.00] |
|
|
| Inp | 1145.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Tboil | 495.72 | K | Joback Calculated Property |
| Tc | 680.38 | K | Joback Calculated Property |
| Tfus | 267.00 | K | Joback Calculated Property |
| Vc | 0.550 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.89; 373.67] | J/mol×K | [495.72; 680.38] |
|
| Cp,gas | 307.89 | J/mol×K | 495.72 | Joback Calculated Property |
| Cp,gas | 320.07 | J/mol×K | 526.50 | Joback Calculated Property |
| Cp,gas | 331.75 | J/mol×K | 557.27 | Joback Calculated Property |
| Cp,gas | 342.95 | J/mol×K | 588.05 | Joback Calculated Property |
| Cp,gas | 353.67 | J/mol×K | 618.82 | Joback Calculated Property |
| Cp,gas | 363.91 | J/mol×K | 649.60 | Joback Calculated Property |
| Cp,gas | 373.67 | J/mol×K | 680.38 | Joback Calculated Property |
| η | [0.0002478; 0.0042242] | Pa×s | [267.00; 495.72] |
|
| η | 0.0042242 | Pa×s | 267.00 | Joback Calculated Property |
| η | 0.0019599 | Pa×s | 305.12 | Joback Calculated Property |
| η | 0.0010785 | Pa×s | 343.24 | Joback Calculated Property |
| η | 0.0006687 | Pa×s | 381.36 | Joback Calculated Property |
| η | 0.0004523 | Pa×s | 419.48 | Joback Calculated Property |
| η | 0.0003265 | Pa×s | 457.60 | Joback Calculated Property |
| η | 0.0002478 | Pa×s | 495.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-chloro, butyl ester.
Sources
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