- 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
- 172.70
- 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° | 28.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.51 | 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 | 686.79 | K | Relay (1.0) Calculated Property |
| Tfus | 220.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.575 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 388.00 ± 1.00 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.13; 482.39] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.42470e+01 | |||
| Coefficient B | 8.10820e-01 | |||
| Coefficient C | -4.48460e-04 | |||
| Coefficient D | 9.57800e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 214.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 259.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 299.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 336.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 368.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 397.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 422.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 445.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 465.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 482.39 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Chloro-4-decyne.
Sources
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