- InChI
- InChI=1S/C9H17ClO2/c1-5-9(3,4)12-8(11)6-7(2)10/h7H,5-6H2,1-4H3
- InChI Key
- HTGFPHGYNHAQNY-UHFFFAOYSA-N
- Formula
- C9H17ClO2
- SMILES
- CCC(C)(C)OC(=O)CC(C)Cl
- Molecular Weight1
- 192.68
- 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.
- I : 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 | 0.4970 | Relay (1.0) Calculated Property | |
| ΔfG° | -220.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -628.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.736 | Crippen Calculated Property | |
| McVol | 157.350 | ml/mol | McGowan Calculated Property |
| Pc | 2388.85 | kPa | Joback Calculated Property |
| Inp | [1119.00; 1143.00] |
|
|
| Inp | 1122.00 | NIST | |
| Inp | 1119.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1127.00 | NIST | |
| Inp | 1122.00 | NIST | |
| I | [1451.00; 1474.00] |
|
|
| I | 1459.00 | NIST | |
| I | 1474.00 | NIST | |
| I | 1455.00 | NIST | |
| I | 1451.00 | NIST | |
| I | 1459.00 | NIST | |
| Tboil | 455.35 | K | Relay (1.0) Calculated Property |
| Tc | 657.83 | K | Relay (1.0) Calculated Property |
| Tfus | 242.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.569 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.54; 429.70] | J/mol×K | [515.37; 709.03] |
|
| Cp,gas | 355.54 | J/mol×K | 515.37 | Joback Calculated Property |
| Cp,gas | 369.63 | J/mol×K | 547.65 | Joback Calculated Property |
| Cp,gas | 383.00 | J/mol×K | 579.92 | Joback Calculated Property |
| Cp,gas | 395.67 | J/mol×K | 612.20 | Joback Calculated Property |
| Cp,gas | 407.66 | J/mol×K | 644.48 | Joback Calculated Property |
| Cp,gas | 418.99 | J/mol×K | 676.75 | Joback Calculated Property |
| Cp,gas | 429.70 | J/mol×K | 709.03 | Joback Calculated Property |
| η | [0.0002167; 0.0053444] | Pa×s | [280.69; 515.37] |
|
| η | 0.0053444 | Pa×s | 280.69 | Joback Calculated Property |
| η | 0.0022594 | Pa×s | 319.80 | Joback Calculated Property |
| η | 0.0011524 | Pa×s | 358.92 | Joback Calculated Property |
| η | 0.0006709 | Pa×s | 398.03 | Joback Calculated Property |
| η | 0.0004303 | Pa×s | 437.14 | Joback Calculated Property |
| η | 0.0002969 | Pa×s | 476.26 | Joback Calculated Property |
| η | 0.0002167 | Pa×s | 515.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-chloro, 1,1-dimethylpropyl ester.
Sources
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