- InChI
- InChI=1S/C17H19ClO2/c1-12(2)9-10-14(11-13(3)4)20-17(19)15-7-5-6-8-16(15)18/h5-8,13-14H,1,11H2,2-4H3
- InChI Key
- KNPYXCMBMIIPQA-UHFFFAOYSA-N
- Formula
- C17H19ClO2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc
c1Cl - Molecular Weight1
- 290.79
- 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° | 226.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -52.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.70 | kJ/mol | Joback Calculated Property |
| log10WS | -5.68 | Crippen Calculated Property | |
| logPoct/wat | 4.491 | Crippen Calculated Property | |
| McVol | 233.410 | ml/mol | McGowan Calculated Property |
| Pc | 1887.08 | kPa | Joback Calculated Property |
| Inp | [1925.00; 1925.00] |
|
|
| Inp | 1925.00 | NIST | |
| Inp | 1925.00 | NIST | |
| Tboil | 738.42 | K | Joback Calculated Property |
| Tc | 969.47 | K | Joback Calculated Property |
| Tfus | 482.75 | K | Joback Calculated Property |
| Vc | 0.884 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [614.06; 693.88] | J/mol×K | [738.42; 969.47] |
|
| Cp,gas | 614.06 | J/mol×K | 738.42 | Joback Calculated Property |
| Cp,gas | 630.05 | J/mol×K | 776.93 | Joback Calculated Property |
| Cp,gas | 644.90 | J/mol×K | 815.44 | Joback Calculated Property |
| Cp,gas | 658.67 | J/mol×K | 853.94 | Joback Calculated Property |
| Cp,gas | 671.39 | J/mol×K | 892.45 | Joback Calculated Property |
| Cp,gas | 683.11 | J/mol×K | 930.96 | Joback Calculated Property |
| Cp,gas | 693.88 | J/mol×K | 969.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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