- InChI
- InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h1H,4-17H2,2H3
- InChI Key
- DQDNKQWGBZFFRA-UHFFFAOYSA-N
- Formula
- C17H32
- SMILES
- C#CCCCCCCCCCCCCCCC
- Molecular Weight1
- 236.44
- CAS
- 26186-00-5
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6900 | KDB | |
| ΔfG° | 315.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -102.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.29 | kJ/mol | Joback Calculated Property |
| log10WS | -6.73 | Crippen Calculated Property | |
| logPoct/wat | 6.101 | Crippen Calculated Property | |
| McVol | 241.790 | ml/mol | McGowan Calculated Property |
| Pc | 1370.00 | kPa | KDB |
| Tboil | 572.20 | K | KDB |
| Tc | 736.20 | K | KDB |
| Tfus | 295.00 | K | KDB |
| Vc | 0.950 | m3/kmol | KDB |
| Zc | 0.2125120 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.76; 725.73] | J/mol×K | [578.48; 744.35] | 
|
| Cp,gas | 623.76 | J/mol×K | 578.48 | Joback Calculated Property |
| Cp,gas | 642.63 | J/mol×K | 606.12 | Joback Calculated Property |
| Cp,gas | 660.73 | J/mol×K | 633.77 | Joback Calculated Property |
| Cp,gas | 678.05 | J/mol×K | 661.41 | Joback Calculated Property |
| Cp,gas | 694.65 | J/mol×K | 689.06 | Joback Calculated Property |
| Cp,gas | 710.53 | J/mol×K | 716.70 | Joback Calculated Property |
| Cp,gas | 725.73 | J/mol×K | 744.35 | Joback Calculated Property |
| ΔvapH | 62.70 | kJ/mol | 522.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [437.73; 604.17] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54993e+01 | |||
| Coefficient B | -5.13420e+03 | |||
| Coefficient C | -1.00210e+02 | |||
| Temperature range, min. | 437.73 | |||
| Temperature range, max. | 604.17 | |||
| Pvap | 1.33 | kPa | 437.73 | Calculated Property |
| Pvap | 2.94 | kPa | 456.22 | Calculated Property |
| Pvap | 5.99 | kPa | 474.72 | Calculated Property |
| Pvap | 11.42 | kPa | 493.21 | Calculated Property |
| Pvap | 20.54 | kPa | 511.70 | Calculated Property |
| Pvap | 35.12 | kPa | 530.20 | Calculated Property |
| Pvap | 57.47 | kPa | 548.69 | Calculated Property |
| Pvap | 90.43 | kPa | 567.18 | Calculated Property |
| Pvap | 137.48 | kPa | 585.68 | Calculated Property |
| Pvap | 202.66 | kPa | 604.17 | Calculated Property |
| Pvap | [3.66; 1366.56] | kPa | [457.15; 736.21] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 3.20978e-01 | |||
| Coefficient B | -7.30684e+03 | |||
| Coefficient C | 2.92546e+00 | |||
| Coefficient D | -4.59123e-06 | |||
| Temperature range, min. | 457.15 | |||
| Temperature range, max. | 736.21 | |||
| Pvap | 3.66 | kPa | 457.15 | Calculated Property |
| Pvap | 10.69 | kPa | 488.16 | Calculated Property |
| Pvap | 27.11 | kPa | 519.16 | Calculated Property |
| Pvap | 60.98 | kPa | 550.17 | Calculated Property |
| Pvap | 123.77 | kPa | 581.18 | Calculated Property |
| Pvap | 229.85 | kPa | 612.18 | Calculated Property |
| Pvap | 394.90 | kPa | 643.19 | Calculated Property |
| Pvap | 633.52 | kPa | 674.20 | Calculated Property |
| Pvap | 956.22 | kPa | 705.20 | Calculated Property |
| Pvap | 1366.56 | kPa | 736.21 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptadecyne.
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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