- InChI
- InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-7H2,1-2H3
- InChI Key
- RAYTXPDVKZFUEI-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- CCCC#CCCCC
- Molecular Weight1
- 124.22
- CAS
- 20184-91-2
- Other Names
-
- 4-C9H16
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 | 0.3177 | Relay (1.0) Calculated Property | |
| ΔfG° | 227.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 42.00 ± 2.80 | kJ/mol | NIST |
| ΔfusH° | 22.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 ± 0.03 | eV | NIST |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.980 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 2707.03 | kPa | Joback Calculated Property |
| Inp | [909.00; 936.00] |
|
|
| Inp | 910.00 | NIST | |
| Inp | Outlier 936.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 909.00 | NIST | |
| Inp | 909.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 909.00 | NIST | |
| I | [1094.00; 1108.20] |
|
|
| I | 1096.00 | NIST | |
| I | 1095.00 | NIST | |
| I | 1094.00 | NIST | |
| I | 1095.00 | NIST | |
| I | Outlier 1108.20 | NIST | |
| I | 1096.00 | NIST | |
| Tboil | [155.12; 428.00] | K |
|
| Tboil | 428.00 | K | NIST |
| Tboil | 155.12 ± 0.20 | K | NIST |
| Tboil | 425.00 ± 5.00 | K | NIST |
| Tc | 611.66 | K | Relay (1.0) Calculated Property |
| Tfus | 185.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.496 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.51; 422.52] | 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 | 1.22650e+01 | |||
| Coefficient B | 7.09040e-01 | |||
| Coefficient C | -3.73660e-04 | |||
| Coefficient D | 7.48800e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 179.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 219.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 255.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 288.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 318.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 344.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 367.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 388.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 406.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 422.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [321.72; 452.45] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53732e+01 | |||
| Coefficient B | -3.94974e+03 | |||
| Coefficient C | -5.98980e+01 | |||
| Temperature range, min. | 321.72 | |||
| Temperature range, max. | 452.45 | |||
| Pvap | 1.33 | kPa | 321.72 | Calculated Property |
| Pvap | 2.95 | kPa | 336.25 | Calculated Property |
| Pvap | 6.02 | kPa | 350.77 | Calculated Property |
| Pvap | 11.47 | kPa | 365.30 | Calculated Property |
| Pvap | 20.64 | kPa | 379.82 | Calculated Property |
| Pvap | 35.29 | kPa | 394.35 | Calculated Property |
| Pvap | 57.69 | kPa | 408.87 | Calculated Property |
| Pvap | 90.68 | kPa | 423.40 | Calculated Property |
| Pvap | 137.67 | kPa | 437.92 | Calculated Property |
| Pvap | 202.65 | kPa | 452.45 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Nonyne.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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