- InChI
- InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1H,4-16H2,2H3
- InChI Key
- UCIDYSLOTJMRAM-UHFFFAOYSA-N
- Formula
- C16H30
- SMILES
- C#CCCCCCCCCCCCCCC
- Molecular Weight1
- 222.41
- CAS
- 629-74-3
- Other Names
-
- hexadec-1-yne
- 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).
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.6610 | KDB | |
| ΔfG° | 306.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -81.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.07 | 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 | 1470.00 | kPa | KDB |
| Inp | 1664.00 | NIST | |
| Tboil | 557.20 | K | KDB |
| Tc | 724.30 | K | KDB |
| Tfus | [288.00; 288.00] | K |
|
| Tfus | 288.00 | K | KDB |
| Tfus | 288.00 ± 2.00 | K | NIST |
| Vc | 0.893 | m3/kmol | KDB |
| Zc | 0.2181010 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [570.39; 669.82] | J/mol×K | [555.60; 722.23] |
|
| Cp,gas | 570.39 | J/mol×K | 555.60 | Joback Calculated Property |
| Cp,gas | 588.79 | J/mol×K | 583.37 | Joback Calculated Property |
| Cp,gas | 606.43 | J/mol×K | 611.14 | Joback Calculated Property |
| Cp,gas | 623.32 | J/mol×K | 638.92 | Joback Calculated Property |
| Cp,gas | 639.50 | J/mol×K | 666.69 | Joback Calculated Property |
| Cp,gas | 654.99 | J/mol×K | 694.46 | Joback Calculated Property |
| Cp,gas | 669.82 | J/mol×K | 722.23 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 421.00 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [425.73; 588.05] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55152e+01 | |||
| Coefficient B | -5.02036e+03 | |||
| Coefficient C | -9.60400e+01 | |||
| Temperature range, min. | 425.73 | |||
| Temperature range, max. | 588.05 | |||
| Pvap | 1.33 | kPa | 425.73 | Calculated Property |
| Pvap | 2.94 | kPa | 443.77 | Calculated Property |
| Pvap | 5.99 | kPa | 461.80 | Calculated Property |
| Pvap | 11.41 | kPa | 479.84 | Calculated Property |
| Pvap | 20.52 | kPa | 497.87 | Calculated Property |
| Pvap | 35.10 | kPa | 515.91 | Calculated Property |
| Pvap | 57.44 | kPa | 533.94 | Calculated Property |
| Pvap | 90.40 | kPa | 551.98 | Calculated Property |
| Pvap | 137.44 | kPa | 570.01 | Calculated Property |
| Pvap | 202.65 | kPa | 588.05 | Calculated Property |
| Pvap | [3.71; 1461.12] | kPa | [445.15; 724.26] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | -1.11579e+00 | |||
| Coefficient B | -7.00011e+03 | |||
| Coefficient C | 3.13692e+00 | |||
| Coefficient D | -4.93588e-06 | |||
| Temperature range, min. | 445.15 | |||
| Temperature range, max. | 724.26 | |||
| Pvap | 3.71 | kPa | 445.15 | Calculated Property |
| Pvap | 11.08 | kPa | 476.16 | Calculated Property |
| Pvap | 28.55 | kPa | 507.17 | Calculated Property |
| Pvap | 64.93 | kPa | 538.19 | Calculated Property |
| Pvap | 132.71 | kPa | 569.20 | Calculated Property |
| Pvap | 247.41 | kPa | 600.21 | Calculated Property |
| Pvap | 425.63 | kPa | 631.22 | Calculated Property |
| Pvap | 682.22 | kPa | 662.24 | Calculated Property |
| Pvap | 1026.89 | kPa | 693.25 | Calculated Property |
| Pvap | 1461.12 | kPa | 724.26 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexadecyne.
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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