- InChI
- InChI=1S/C12H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,7-12H2,1H3
- InChI Key
- DJJGBABLSKSRGV-UHFFFAOYSA-N
- Formula
- C12H21Cl
- SMILES
- CCCCC#CCCCCCCCl
- Molecular Weight1
- 200.75
- CAS
- 42513-36-0
- Other Names
-
- 12-Chloro-5-dodecyne
- 12-chlorododec-5-yne
- 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).
- 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° | 241.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -34.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.84 | kJ/mol | Joback Calculated Property |
| log10WS | -4.79 | Crippen Calculated Property | |
| logPoct/wat | 4.369 | Crippen Calculated Property | |
| McVol | 183.580 | ml/mol | McGowan Calculated Property |
| Pc | 1980.59 | kPa | Joback Calculated Property |
| Tboil | 520.39 | K | Joback Calculated Property |
| Tc | 706.80 | K | Joback Calculated Property |
| Tfus | 361.02 | K | Joback Calculated Property |
| Vc | 0.719 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.19; 493.64] | J/mol×K | [520.39; 706.80] | 
|
| Cp,gas | 409.19 | J/mol×K | 520.39 | Joback Calculated Property |
| Cp,gas | 424.93 | J/mol×K | 551.46 | Joback Calculated Property |
| Cp,gas | 439.97 | J/mol×K | 582.53 | Joback Calculated Property |
| Cp,gas | 454.34 | J/mol×K | 613.59 | Joback Calculated Property |
| Cp,gas | 468.07 | J/mol×K | 644.66 | Joback Calculated Property |
| Cp,gas | 481.16 | J/mol×K | 675.73 | Joback Calculated Property |
| Cp,gas | 493.64 | J/mol×K | 706.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Dodecyne, 12-chloro-.
Sources
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