- InChI
- InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-14H2,1-2H3
- InChI Key
- YSDKMBBHKZXPME-UHFFFAOYSA-N
- Formula
- C16H30
- SMILES
- CCCCCCCC#CCCCCCCC
- Molecular Weight1
- 222.41
- CAS
- 19781-86-3
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 286.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -101.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.36 | kJ/mol | Joback Calculated Property |
| log10WS | -6.31 | Crippen 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 | 574.48 | K | Joback Calculated Property |
| Tc | 749.14 | K | Joback Calculated Property |
| Tfus | 376.18 | K | Joback Calculated Property |
| Vc | 0.893 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.26; 678.34] | J/mol×K | [574.48; 749.14] | 
|
| Cp,gas | 576.26 | J/mol×K | 574.48 | Joback Calculated Property |
| Cp,gas | 595.18 | J/mol×K | 603.59 | Joback Calculated Property |
| Cp,gas | 613.30 | J/mol×K | 632.70 | Joback Calculated Property |
| Cp,gas | 630.66 | J/mol×K | 661.81 | Joback Calculated Property |
| Cp,gas | 647.27 | J/mol×K | 690.92 | Joback Calculated Property |
| Cp,gas | 663.15 | J/mol×K | 720.03 | Joback Calculated Property |
| Cp,gas | 678.34 | J/mol×K | 749.14 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [431.32; 586.16] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.61270e+01 | |||
| Coefficient B | -5.27985e+03 | |||
| Coefficient C | -9.79840e+01 | |||
| Temperature range, min. | 431.32 | |||
| Temperature range, max. | 586.16 | |||
| Pvap | 1.33 | kPa | 431.32 | Calculated Property |
| Pvap | 2.90 | kPa | 448.52 | Calculated Property |
| Pvap | 5.87 | kPa | 465.73 | Calculated Property |
| Pvap | 11.15 | kPa | 482.93 | Calculated Property |
| Pvap | 20.05 | kPa | 500.14 | Calculated Property |
| Pvap | 34.35 | kPa | 517.34 | Calculated Property |
| Pvap | 56.42 | kPa | 534.55 | Calculated Property |
| Pvap | 89.25 | kPa | 551.75 | Calculated Property |
| Pvap | 136.52 | kPa | 568.96 | Calculated Property |
| Pvap | 202.66 | kPa | 586.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 8-Hexadecyne.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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