- InChI
- InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-5,7,9H2,1-2H3
- InChI Key
- SRRDSRCWRHKEKU-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- CCC#CCCCCC
- Molecular Weight1
- 124.22
- CAS
- 20184-89-8
- Other Names
-
- 3-C9H16
- 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 |
|---|---|---|---|
| ΔfG° | 227.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 42.00 ± 2.50 | kJ/mol | NIST |
| ΔfusH° | 22.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.78 | kJ/mol | Joback Calculated Property |
| IE | [9.20; 9.20] | eV |
|
| IE | 9.20 ± 0.02 | eV | NIST |
| IE | 9.20 ± 0.01 | eV | NIST |
| log10WS | -3.38 | Crippen 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 | [913.00; 918.00] |
|
|
| Inp | 916.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 916.00 | NIST | |
| I | [1108.00; 1122.50] |
|
|
| I | 1110.00 | NIST | |
| I | 1108.00 | NIST | |
| I | 1108.00 | NIST | |
| I | 1109.00 | NIST | |
| I | Outlier 1122.50 | NIST | |
| I | 1110.00 | NIST | |
| Tboil | [425.65; 431.65] | K |
|
| Tboil | 429.00 | K | NIST |
| Tboil | 429.82 ± 0.60 | K | NIST |
| Tboil | 425.65 ± 2.00 | K | NIST |
| Tboil | 429.00 ± 2.00 | K | NIST |
| Tboil | 431.65 ± 2.00 | K | NIST |
| Tc | 600.28 | K | Joback Calculated Property |
| Tfus | 297.29 | K | Joback Calculated Property |
| Vc | 0.501 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.22; 319.44] | J/mol×K | [414.32; 600.28] |
|
| Cp,gas | 247.22 | J/mol×K | 414.32 | Joback Calculated Property |
| Cp,gas | 260.52 | J/mol×K | 445.31 | Joback Calculated Property |
| Cp,gas | 273.31 | J/mol×K | 476.31 | Joback Calculated Property |
| Cp,gas | 285.57 | J/mol×K | 507.30 | Joback Calculated Property |
| Cp,gas | 297.34 | J/mol×K | 538.29 | Joback Calculated Property |
| Cp,gas | 308.63 | J/mol×K | 569.29 | Joback Calculated Property |
| Cp,gas | 319.44 | J/mol×K | 600.28 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [324.20; 455.70] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53764e+01 | |||
| Coefficient B | -3.97500e+03 | |||
| Coefficient C | -6.07590e+01 | |||
| Temperature range, min. | 324.20 | |||
| Temperature range, max. | 455.70 | |||
| Pvap | 1.33 | kPa | 324.20 | Calculated Property |
| Pvap | 2.95 | kPa | 338.81 | Calculated Property |
| Pvap | 6.01 | kPa | 353.42 | Calculated Property |
| Pvap | 11.47 | kPa | 368.03 | Calculated Property |
| Pvap | 20.64 | kPa | 382.64 | Calculated Property |
| Pvap | 35.29 | kPa | 397.26 | Calculated Property |
| Pvap | 57.69 | kPa | 411.87 | Calculated Property |
| Pvap | 90.68 | kPa | 426.48 | Calculated Property |
| Pvap | 137.68 | kPa | 441.09 | Calculated Property |
| Pvap | 202.67 | kPa | 455.70 | Calculated Property |
| Pvap | [12.87; 99.86] | kPa | [365.15; 429.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | -3.09602e+01 | |||
| Coefficient B | -2.65448e+03 | |||
| Coefficient C | 6.98495e+00 | |||
| Coefficient D | -3.21438e-06 | |||
| Temperature range, min. | 365.15 | |||
| Temperature range, max. | 429.15 | |||
| Pvap | 12.87 | kPa | 365.15 | Calculated Property |
| Pvap | 16.64 | kPa | 372.26 | Calculated Property |
| Pvap | 21.34 | kPa | 379.37 | Calculated Property |
| Pvap | 27.15 | kPa | 386.48 | Calculated Property |
| Pvap | 34.29 | kPa | 393.59 | Calculated Property |
| Pvap | 43.01 | kPa | 400.71 | Calculated Property |
| Pvap | 53.59 | kPa | 407.82 | Calculated Property |
| Pvap | 66.35 | kPa | 414.93 | Calculated Property |
| Pvap | 81.64 | kPa | 422.04 | Calculated Property |
| Pvap | 99.86 | kPa | 429.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nonyne.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.