- InChI
- InChI=1S/C16H29ClO2/c1-2-3-4-5-6-7-8-9-12-15-19-16(18)13-10-11-14-17/h9,12H,2-8,10-11,13-15H2,1H3/b12-9+
- InChI Key
- MMBYQPWSFIURFR-FMIVXFBMSA-N
- Formula
- C16H29ClO2
- SMILES
- CCCCCCCCC=CCOC(=O)CCCCCl
- Molecular Weight1
- 288.85
- 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° | -81.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -516.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.71 | kJ/mol | Joback Calculated Property |
| log10WS | -5.39 | Crippen Calculated Property | |
| logPoct/wat | 5.245 | Crippen Calculated Property | |
| McVol | 251.680 | ml/mol | McGowan Calculated Property |
| Pc | 1378.88 | kPa | Joback Calculated Property |
| Inp | [2053.60; 2053.60] |
|
|
| Inp | 2053.60 | NIST | |
| Inp | 2053.60 | NIST | |
| Tboil | 683.36 | K | Joback Calculated Property |
| Tc | 860.49 | K | Joback Calculated Property |
| Tfus | 367.08 | K | Joback Calculated Property |
| Vc | 0.985 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.59; 777.18] | J/mol×K | [683.36; 860.49] |
|
| Cp,gas | 688.59 | J/mol×K | 683.36 | Joback Calculated Property |
| Cp,gas | 705.25 | J/mol×K | 712.88 | Joback Calculated Property |
| Cp,gas | 721.11 | J/mol×K | 742.40 | Joback Calculated Property |
| Cp,gas | 736.21 | J/mol×K | 771.92 | Joback Calculated Property |
| Cp,gas | 750.57 | J/mol×K | 801.44 | Joback Calculated Property |
| Cp,gas | 764.22 | J/mol×K | 830.96 | Joback Calculated Property |
| Cp,gas | 777.18 | J/mol×K | 860.49 | Joback Calculated Property |
| η | [0.0000948; 0.0017965] | Pa×s | [367.08; 683.36] |
|
| η | 0.0017965 | Pa×s | 367.08 | Joback Calculated Property |
| η | 0.0008088 | Pa×s | 419.79 | Joback Calculated Property |
| η | 0.0004351 | Pa×s | 472.51 | Joback Calculated Property |
| η | 0.0002651 | Pa×s | 525.22 | Joback Calculated Property |
| η | 0.0001768 | Pa×s | 577.93 | Joback Calculated Property |
| η | 0.0001262 | Pa×s | 630.65 | Joback Calculated Property |
| η | 0.0000948 | Pa×s | 683.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, undec-2-enyl ester.
Sources
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