- InChI
- InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-9,11,13-14H2,1-2H3
- InChI Key
- WHRIRYDVFUEMDX-UHFFFAOYSA-N
- Formula
- C14H26
- SMILES
- CCCCC#CCCCCCCCC
- Molecular Weight1
- 194.36
- CAS
- 60212-34-2
- Other Names
-
- 5-C14H26
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.5491 | Relay (1.0) Calculated Property | |
| ΔfG° | 269.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -62.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 ± 0.03 | eV | NIST |
| log10WS | -6.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.931 | Crippen Calculated Property | |
| McVol | 199.520 | ml/mol | McGowan Calculated Property |
| Pc | 1733.22 | kPa | Joback Calculated Property |
| Inp | [1404.00; 1421.00] |
|
|
| Inp | 1421.00 | NIST | |
| Inp | 1404.00 | NIST | |
| Inp | 1404.00 | NIST | |
| Inp | 1405.00 | NIST | |
| I | [1546.90; 1581.00] |
|
|
| I | 1551.00 | NIST | |
| I | 1568.60 | NIST | |
| I | 1569.00 | NIST | |
| I | 1578.00 | NIST | |
| I | 1578.00 | NIST | |
| I | 1580.00 | NIST | |
| I | 1580.00 | NIST | |
| I | 1581.00 | NIST | |
| I | 1546.90 | NIST | |
| I | 1551.00 | NIST | |
| I | 1568.60 | NIST | |
| Tboil | 504.46 | K | Relay (1.0) Calculated Property |
| Tc | 705.01 | K | Relay (1.0) Calculated Property |
| Tfus | 244.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.776 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.58; 680.48] | 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 | 7.72000e+00 | |||
| Coefficient B | 1.18404e+00 | |||
| Coefficient C | -6.45660e-04 | |||
| Coefficient D | 1.34380e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 285.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 351.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 411.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 464.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 512.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 555.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 592.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 625.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 654.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 680.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [394.21; 555.33] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.51779e+01 | |||
| Coefficient B | -4.71174e+03 | |||
| Coefficient C | -7.77740e+01 | |||
| Temperature range, min. | 394.21 | |||
| Temperature range, max. | 555.33 | |||
| Pvap | 1.33 | kPa | 394.21 | Calculated Property |
| Pvap | 2.96 | kPa | 412.11 | Calculated Property |
| Pvap | 6.06 | kPa | 430.01 | Calculated Property |
| Pvap | 11.57 | kPa | 447.92 | Calculated Property |
| Pvap | 20.81 | kPa | 465.82 | Calculated Property |
| Pvap | 35.56 | kPa | 483.72 | Calculated Property |
| Pvap | 58.05 | kPa | 501.62 | Calculated Property |
| Pvap | 91.09 | kPa | 519.53 | Calculated Property |
| Pvap | 138.00 | kPa | 537.43 | Calculated Property |
| Pvap | 202.65 | kPa | 555.33 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Tetradecyne.
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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