- InChI
- InChI=1S/C13H19ClO2/c1-10(2)5-6-12(9-11(3)4)16-13(15)7-8-14/h11-12H,1,7-9H2,2-4H3
- InChI Key
- NJMIWJNQZFQLFM-UHFFFAOYSA-N
- Formula
- C13H19ClO2
- SMILES
- C=C(C)C#CC(CC(C)C)OC(=O)CCCl
- Molecular Weight1
- 242.74
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 89.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -194.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.86 | kJ/mol | Joback Calculated Property |
| log10WS | -3.80 | Crippen Calculated Property | |
| logPoct/wat | 3.153 | Crippen Calculated Property | |
| McVol | 200.810 | ml/mol | McGowan Calculated Property |
| Pc | 2003.70 | kPa | Joback Calculated Property |
| Inp | [1515.00; 1515.00] |
|
|
| Inp | 1515.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Tboil | 615.24 | K | Joback Calculated Property |
| Tc | 820.28 | K | Joback Calculated Property |
| Tfus | 398.73 | K | Joback Calculated Property |
| Vc | 0.768 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [486.93; 567.45] | J/mol×K | [615.24; 820.28] |
|
| Cp,gas | 486.93 | J/mol×K | 615.24 | Joback Calculated Property |
| Cp,gas | 502.30 | J/mol×K | 649.41 | Joback Calculated Property |
| Cp,gas | 516.87 | J/mol×K | 683.59 | Joback Calculated Property |
| Cp,gas | 530.65 | J/mol×K | 717.76 | Joback Calculated Property |
| Cp,gas | 543.66 | J/mol×K | 751.93 | Joback Calculated Property |
| Cp,gas | 555.92 | J/mol×K | 786.11 | Joback Calculated Property |
| Cp,gas | 567.45 | J/mol×K | 820.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cloropropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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