- InChI
- InChI=1S/C10H19ClO2/c1-3-4-5-6-7-13-10(12)8-9(2)11/h9H,3-8H2,1-2H3
- InChI Key
- SVLJQSLBKSCZRL-UHFFFAOYSA-N
- Formula
- C10H19ClO2
- SMILES
- CCCCCCOC(=O)CC(C)Cl
- Molecular Weight1
- 206.71
- Other Names
-
- Butanoic acid, 3-chloro, hexyl ester
- 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 | 0.6166 | Relay (1.0) Calculated Property | |
| ΔfG° | -214.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -609.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.127 | Crippen Calculated Property | |
| McVol | 171.440 | ml/mol | McGowan Calculated Property |
| Pc | 2141.36 | kPa | Joback Calculated Property |
| Inp | [1325.00; 1346.00] |
|
|
| Inp | 1343.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1330.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | 1325.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1331.00 | NIST | |
| Tboil | 489.92 | K | Relay (1.0) Calculated Property |
| Tc | 686.29 | K | Relay (1.0) Calculated Property |
| Tfus | 238.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.638 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.76; 473.86] | J/mol×K | [541.48; 722.34] |
|
| Cp,gas | 398.76 | J/mol×K | 541.48 | Joback Calculated Property |
| Cp,gas | 412.72 | J/mol×K | 571.62 | Joback Calculated Property |
| Cp,gas | 426.09 | J/mol×K | 601.77 | Joback Calculated Property |
| Cp,gas | 438.88 | J/mol×K | 631.91 | Joback Calculated Property |
| Cp,gas | 451.10 | J/mol×K | 662.05 | Joback Calculated Property |
| Cp,gas | 462.76 | J/mol×K | 692.19 | Joback Calculated Property |
| Cp,gas | 473.86 | J/mol×K | 722.34 | Joback Calculated Property |
| η | [0.0002061; 0.0038985] | Pa×s | [289.54; 541.48] |
|
| η | 0.0038985 | Pa×s | 289.54 | Joback Calculated Property |
| η | 0.0017512 | Pa×s | 331.53 | Joback Calculated Property |
| η | 0.0009417 | Pa×s | 373.52 | Joback Calculated Property |
| η | 0.0005741 | Pa×s | 415.51 | Joback Calculated Property |
| η | 0.0003832 | Pa×s | 457.50 | Joback Calculated Property |
| η | 0.0002738 | Pa×s | 499.49 | Joback Calculated Property |
| η | 0.0002061 | Pa×s | 541.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexyl 3-chlorobutanoate.
Sources
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