- InChI
- InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3
- InChI Key
- OSSQSXOTMIGBCF-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- C#CCCCCCCC
- Molecular Weight1
- 124.22
- CAS
- 3452-09-3
- Other Names
-
- 1-C9H16
- heptylacetylene
- non-1-yne
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- n0 : Refractive Index.
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3820 | KDB | |
| ΔfG° | 247.97 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 5856.76 | kJ/mol | KDB |
| Δc,netH | 5505.308 | kJ/mol | KDB |
| ΔfH°gas | 62.30 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 22.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 ± 0.02 | eV | NIST |
| log10WS | [-4.24; -4.24] |
|
|
| log10WS | -4.24 | Aq. Solubility Prediction | |
| log10WS | -4.24 | Estimated Solubility | |
| logPoct/wat | 2.980 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 2670.00 | kPa | KDB |
| Inp | [883.00; 913.00] |
|
|
| Inp | 887.90 | NIST | |
| Inp | 888.50 | NIST | |
| Inp | 889.00 | NIST | |
| Inp | 883.00 | NIST | |
| Inp | Outlier 912.00 | NIST | |
| Inp | 884.00 | NIST | |
| Inp | 884.00 | NIST | |
| Inp | 884.00 | NIST | |
| Inp | 884.00 | NIST | |
| Inp | 884.00 | NIST | |
| Inp | 885.30 | NIST | |
| Inp | Outlier 913.00 | NIST | |
| Ip | [1132.00; 1147.90] |
|
|
| Ip | 1134.00 | NIST | |
| Ip | 1133.00 | NIST | |
| Ip | 1132.00 | NIST | |
| Ip | 1135.00 | NIST | |
| Ip | 1147.90 | NIST | |
| Tboil | [422.15; 424.00] | K |
|
| Tboil | 424.00 | K | KDB |
| Tboil | 423.00 | K | NIST |
| Tboil | 424.00 | K | NIST |
| Tboil | 423.95 ± 0.60 | K | NIST |
| Tboil | 423.15 ± 1.50 | K | NIST |
| Tboil | 422.15 ± 1.50 | K | NIST |
| Tboil | 422.30 ± 1.50 | K | NIST |
| Tc | 610.80 | K | KDB |
| Tfus | [223.00; 223.15] | K |
|
| Tfus | 223.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 223.00 | K | KDB |
| Vc | 0.501 | m3/kmol | KDB |
| Zc | 0.2636610 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [36.40; 45.60] | kJ/mol | [392.00; 392.00] |
|
| ΔvapH | 45.60 ± 0.20 | kJ/mol | 392.00 | NIST |
| ΔvapH | 42.70 ± 0.20 | kJ/mol | 392.00 | NIST |
| ΔvapH | 39.70 ± 0.30 | kJ/mol | 392.00 | NIST |
| ΔvapH | 36.40 ± 0.50 | kJ/mol | 392.00 | NIST |
| n0 | 1.41950 | 298.15 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.22; 425.97] | 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 | 8.48600e+00 | |||
| Coefficient B | 7.64920e-01 | |||
| Coefficient C | -4.61730e-04 | |||
| Coefficient D | 1.14290e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 185.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 226.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 263.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 295.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 324.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 350.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 372.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 392.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 410.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 425.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [319.11; 448.98] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53731e+01 | |||
| Coefficient B | -3.92375e+03 | |||
| Coefficient C | -5.90110e+01 | |||
| Temperature range, min. | 319.11 | |||
| Temperature range, max. | 448.98 | |||
| Pvap | 1.33 | kPa | 319.11 | Calculated Property |
| Pvap | 2.95 | kPa | 333.54 | Calculated Property |
| Pvap | 6.01 | kPa | 347.97 | Calculated Property |
| Pvap | 11.47 | kPa | 362.40 | Calculated Property |
| Pvap | 20.64 | kPa | 376.83 | Calculated Property |
| Pvap | 35.28 | kPa | 391.26 | Calculated Property |
| Pvap | 57.68 | kPa | 405.69 | Calculated Property |
| Pvap | 90.67 | kPa | 420.12 | Calculated Property |
| Pvap | 137.66 | kPa | 434.55 | Calculated Property |
| Pvap | 202.63 | kPa | 448.98 | Calculated Property |
| Pvap | [3.16; 2699.77] | kPa | [323.15; 610.81] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 9.44707e+01 | |||
| Coefficient B | -8.15030e+03 | |||
| Coefficient C | -1.19523e+01 | |||
| Coefficient D | 9.23357e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 323.15 | |||
| Temperature range, max. | 610.81 | |||
| Pvap | 3.16 | kPa | 323.15 | Calculated Property |
| Pvap | 12.12 | kPa | 355.11 | Calculated Property |
| Pvap | 35.84 | kPa | 387.07 | Calculated Property |
| Pvap | 87.76 | kPa | 419.04 | Calculated Property |
| Pvap | 187.02 | kPa | 451.00 | Calculated Property |
| Pvap | 359.41 | kPa | 482.96 | Calculated Property |
| Pvap | 639.40 | kPa | 514.92 | Calculated Property |
| Pvap | 1074.04 | kPa | 546.89 | Calculated Property |
| Pvap | 1729.23 | kPa | 578.85 | Calculated Property |
| Pvap | 2699.77 | kPa | 610.81 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Nonyne.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
- Activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-ethyl-3-methylimidazolium trifluoromethanesulfonate using gas liquid chromatography at T = (313.15, 323.15, and 333.15) K
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- Activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-butyl-3-methylimidazolium hexafluoroantimonate using gas liquid chromatography at T = (313.15, 323.15, and 333.15) K
- Activity coefficients at infinite dilution of organic solutes in the ionic liquid trihexyltetradecylphosphonium hexafluorophosphate using gas liquid chromatography at T = (313.15, 333.15, 353.15, and 363.15) K
- Activity coefficients at infinite dilution of organic solutes in the ionic liquid trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)imide using gas-liquid chromatography at T = (313.15, 333.15, 353.15 and 373.15) K
- Measurement of activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-ethyl-3-methylimidazolium 2-(2-methoxyethoxy) ethylsulfate at T = (308.15, 313.15, 323.15 and 333.15) K using gas + liquid chromatography
- Screening of environmental friendly ionic liquid as a solvent for the different types of separations problem: Insight from activity coefficients at infinite dilution measurement using (gas + liquid) chromatography technique
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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