- InChI
- InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-5,7,9-16H2,1-2H3
- InChI Key
- HRFPRVYNMNOAQO-UHFFFAOYSA-N
- Formula
- C16H30
- SMILES
- CCC#CCCCCCCCCCCCC
- Molecular Weight1
- 222.42
- CAS
- 61886-62-2
- 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).
- 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 | 0.6148 | Relay (1.0) Calculated Property | |
| ΔfG° | 286.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -107.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.711 | Crippen Calculated Property | |
| McVol | 227.700 | ml/mol | McGowan Calculated Property |
| Pc | 1486.14 | kPa | Joback Calculated Property |
| Tboil | 528.53 | K | Relay (1.0) Calculated Property |
| Tc | 731.94 | K | Relay (1.0) Calculated Property |
| Tfus | 266.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.889 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.00; 783.66] | 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 | 5.90200e+00 | |||
| Coefficient B | 1.37404e+00 | |||
| Coefficient C | -7.54460e-04 | |||
| Coefficient D | 1.58180e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 328.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 404.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 473.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 535.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 590.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 639.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 682.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 720.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 754.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 783.66 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [427.32; 587.51] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56840e+01 | |||
| Coefficient B | -5.09200e+03 | |||
| Coefficient C | -9.65940e+01 | |||
| Temperature range, min. | 427.32 | |||
| Temperature range, max. | 587.51 | |||
| Pvap | 1.33 | kPa | 427.32 | Calculated Property |
| Pvap | 2.93 | kPa | 445.12 | Calculated Property |
| Pvap | 5.95 | kPa | 462.92 | Calculated Property |
| Pvap | 11.33 | kPa | 480.72 | Calculated Property |
| Pvap | 20.39 | kPa | 498.52 | Calculated Property |
| Pvap | 34.89 | kPa | 516.31 | Calculated Property |
| Pvap | 57.15 | kPa | 534.11 | Calculated Property |
| Pvap | 90.07 | kPa | 551.91 | Calculated Property |
| Pvap | 137.19 | kPa | 569.71 | Calculated Property |
| Pvap | 202.67 | kPa | 587.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexadecyne.
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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