- InChI
- InChI=1S/C19H25ClO2/c1-2-3-4-5-6-7-8-9-10-13-16-22-19(21)17-14-11-12-15-18(17)20/h11-12,14-15H,2,5-10,13,16H2,1H3
- InChI Key
- SUDQXLLPAJDXDC-UHFFFAOYSA-N
- Formula
- C19H25ClO2
- SMILES
- CCC#CCCCCCCCCOC(=O)c1ccccc1Cl
- Molecular Weight1
- 320.85
- ω : Acentric Factor.
- 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).
- 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 | 0.7920 | Relay (1.0) Calculated Property | |
| ΔfG° | 168.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.641 | Crippen Calculated Property | |
| McVol | 265.890 | ml/mol | McGowan Calculated Property |
| Pc | 1529.46 | kPa | Joback Calculated Property |
| Inp | [2343.90; 2343.90] |
|
|
| Inp | 2343.90 | NIST | |
| Inp | 2343.90 | NIST | |
| Tboil | 618.10 | K | Relay (1.0) Calculated Property |
| Tc | 853.85 | K | Relay (1.0) Calculated Property |
| Tfus | 286.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.963 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [749.93; 832.57] | J/mol×K | [788.50; 999.73] |
|
| Cp,gas | 749.93 | J/mol×K | 788.50 | Joback Calculated Property |
| Cp,gas | 766.23 | J/mol×K | 823.70 | Joback Calculated Property |
| Cp,gas | 781.48 | J/mol×K | 858.91 | Joback Calculated Property |
| Cp,gas | 795.69 | J/mol×K | 894.11 | Joback Calculated Property |
| Cp,gas | 808.92 | J/mol×K | 929.32 | Joback Calculated Property |
| Cp,gas | 821.21 | J/mol×K | 964.52 | Joback Calculated Property |
| Cp,gas | 832.57 | J/mol×K | 999.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, dodec-9-ynyl ester.
Sources
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