- InChI
- InChI=1S/C10H17Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-5,8-10H2,1H3
- InChI Key
- WQROTKWHQIGFTO-UHFFFAOYSA-N
- Formula
- C10H17Cl
- SMILES
- CCCCCC#CCCCCl
- Molecular Weight1
- 172.69
- CAS
- 26817-65-2
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4285 | Relay (1.0) Calculated Property | |
| ΔfG° | 224.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -13.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.589 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 2367.97 | kPa | Joback Calculated Property |
| Tboil | 474.12 | K | Relay (1.0) Calculated Property |
| Tc | 681.18 | K | Relay (1.0) Calculated Property |
| Tfus | 223.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.570 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.30; 393.40] | J/mol×K | [474.63; 665.33] | 
|
| Cp,gas | 318.30 | J/mol×K | 474.63 | Joback Calculated Property |
| Cp,gas | 332.29 | J/mol×K | 506.41 | Joback Calculated Property |
| Cp,gas | 345.66 | J/mol×K | 538.20 | Joback Calculated Property |
| Cp,gas | 358.44 | J/mol×K | 569.98 | Joback Calculated Property |
| Cp,gas | 370.64 | J/mol×K | 601.76 | Joback Calculated Property |
| Cp,gas | 382.29 | J/mol×K | 633.54 | Joback Calculated Property |
| Cp,gas | 393.40 | J/mol×K | 665.33 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 388.00 ± 1.00 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 1-Chloro-4-decyne.
Sources
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