- InChI
- InChI=1S/C5H7Cl/c1-2-3-4-5-6/h1H,3-5H2
- InChI Key
- UXFIKVWAAMKFQE-UHFFFAOYSA-N
- Formula
- C5H7Cl
- SMILES
- C#CCCCCl
- Molecular Weight1
- 102.56
- CAS
- 14267-92-6
- Other Names
-
- 1-Pentyne, 5-chloro-
- 5-chloropent-1-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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 202.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 129.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.97 | kJ/mol | Joback Calculated Property |
| log10WS | -1.86 | Crippen Calculated Property | |
| logPoct/wat | 1.639 | Crippen Calculated Property | |
| McVol | 84.950 | ml/mol | McGowan Calculated Property |
| Pc | 3970.51 | kPa | Joback Calculated Property |
| Inp | [732.00; 735.00] |
|
|
| Inp | 735.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 732.00 | NIST | |
| Tboil | [341.15; 387.00] | K |
|
| Tboil | 386.00 ± 3.00 | K | NIST |
| Tboil | 387.00 ± 2.00 | K | NIST |
| Tboil | 341.15 ± 2.00 | K | NIST |
| Tc | 526.60 | K | Joback Calculated Property |
| Tfus | 223.00 | K | Joback Calculated Property |
| Vc | 0.327 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.91; 168.98] | J/mol×K | [341.35; 526.60] |
|
| Cp,gas | 130.91 | J/mol×K | 341.35 | Joback Calculated Property |
| Cp,gas | 138.07 | J/mol×K | 372.23 | Joback Calculated Property |
| Cp,gas | 144.88 | J/mol×K | 403.10 | Joback Calculated Property |
| Cp,gas | 151.37 | J/mol×K | 433.98 | Joback Calculated Property |
| Cp,gas | 157.54 | J/mol×K | 464.85 | Joback Calculated Property |
| Cp,gas | 163.40 | J/mol×K | 495.73 | Joback Calculated Property |
| Cp,gas | 168.98 | J/mol×K | 526.60 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 340.00 | K | 19.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [272.28; 415.54] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.33739e+01 | |||
| Coefficient B | -3.00867e+03 | |||
| Coefficient C | -4.23700e+01 | |||
| Temperature range, min. | 272.28 | |||
| Temperature range, max. | 415.54 | |||
| Pvap | 1.33 | kPa | 272.28 | Calculated Property |
| Pvap | 3.11 | kPa | 288.20 | Calculated Property |
| Pvap | 6.55 | kPa | 304.12 | Calculated Property |
| Pvap | 12.66 | kPa | 320.03 | Calculated Property |
| Pvap | 22.78 | kPa | 335.95 | Calculated Property |
| Pvap | 38.58 | kPa | 351.87 | Calculated Property |
| Pvap | 62.07 | kPa | 367.79 | Calculated Property |
| Pvap | 95.53 | kPa | 383.70 | Calculated Property |
| Pvap | 141.48 | kPa | 399.62 | Calculated Property |
| Pvap | 202.64 | kPa | 415.54 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chloro-1-pentyne.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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