- InChI
- InChI=1S/C9H17ClO2/c1-2-3-4-6-9(11)12-8-5-7-10/h2-8H2,1H3
- InChI Key
- QBAPUBKDRNQWDF-UHFFFAOYSA-N
- Formula
- C9H17ClO2
- SMILES
- CCCCCC(=O)OCCCCl
- Molecular Weight1
- 192.68
- Other Names
-
- Hexanoic acid, 3-chloropropyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -220.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -489.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.17 | kJ/mol | Joback Calculated Property |
| log10WS | -2.61 | Crippen Calculated Property | |
| logPoct/wat | 2.739 | Crippen Calculated Property | |
| McVol | 157.350 | ml/mol | McGowan Calculated Property |
| Pc | 2327.03 | kPa | Joback Calculated Property |
| Inp | [1302.00; 1314.00] |
|
|
| Inp | 1302.00 | NIST | |
| Inp | 1314.00 | NIST | |
| Tboil | 519.04 | K | Joback Calculated Property |
| Tc | 698.13 | K | Joback Calculated Property |
| Tfus | 293.27 | K | Joback Calculated Property |
| Vc | 0.613 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.11; 421.32] | J/mol×K | [519.04; 698.13] |
|
| Cp,gas | 352.11 | J/mol×K | 519.04 | Joback Calculated Property |
| Cp,gas | 364.91 | J/mol×K | 548.89 | Joback Calculated Property |
| Cp,gas | 377.20 | J/mol×K | 578.74 | Joback Calculated Property |
| Cp,gas | 388.97 | J/mol×K | 608.58 | Joback Calculated Property |
| Cp,gas | 400.25 | J/mol×K | 638.43 | Joback Calculated Property |
| Cp,gas | 411.03 | J/mol×K | 668.28 | Joback Calculated Property |
| Cp,gas | 421.32 | J/mol×K | 698.13 | Joback Calculated Property |
| η | [0.0002406; 0.0029830] | Pa×s | [293.27; 519.04] |
|
| η | 0.0029830 | Pa×s | 293.27 | Joback Calculated Property |
| η | 0.0015445 | Pa×s | 330.90 | Joback Calculated Property |
| η | 0.0009148 | Pa×s | 368.53 | Joback Calculated Property |
| η | 0.0005970 | Pa×s | 406.15 | Joback Calculated Property |
| η | 0.0004189 | Pa×s | 443.78 | Joback Calculated Property |
| η | 0.0003106 | Pa×s | 481.41 | Joback Calculated Property |
| η | 0.0002406 | Pa×s | 519.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanol, 3-chloro, hexanoate.
Sources
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