- InChI
- InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1H,4-14H2,2H3
- InChI Key
- DZEFNRWGWQDGTR-UHFFFAOYSA-N
- Formula
- C14H26
- SMILES
- C#CCCCCCCCCCCCC
- Molecular Weight1
- 194.36
- CAS
- 765-10-6
- Other Names
-
- 1-C14H26
- tetradecyne
- 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.
- Ip : 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 | 0.5910 | KDB | |
| ΔfG° | 290.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -65.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 ± 0.02 | eV | NIST |
| log10WS | -6.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.931 | Crippen Calculated Property | |
| McVol | 199.520 | ml/mol | McGowan Calculated Property |
| Pc | 1720.00 | kPa | KDB |
| Inp | [1396.00; 1413.00] |
|
|
| Inp | 1413.00 | NIST | |
| Inp | 1396.00 | NIST | |
| Inp | 1397.00 | NIST | |
| Inp | 1398.00 | NIST | |
| Inp | 1413.00 | NIST | |
| Ip | [1603.50; 1633.00] |
|
|
| Ip | 1603.50 | NIST | |
| Ip | 1626.20 | NIST | |
| Ip | 1627.40 | NIST | |
| Ip | 1633.00 | NIST | |
| Ip | 1633.00 | NIST | |
| Ip | 1633.00 | NIST | |
| Ip | 1632.00 | NIST | |
| Ip | 1633.00 | NIST | |
| Ip | 1603.50 | NIST | |
| Ip | 1626.20 | NIST | |
| Ip | 1603.50 | NIST | |
| Ip | 1633.00 | NIST | |
| Tboil | 525.20 | K | KDB |
| Tc | 698.90 | K | KDB |
| Tfus | [273.00; 273.15] | K |
|
| Tfus | 273.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 273.00 | K | KDB |
| Vc | 0.781 | m3/kmol | KDB |
| Zc | 0.2313160 | KDB |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 406.00 ± 1.00 | K | 1.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.29; 683.92] | 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 | 3.94100e+00 | |||
| Coefficient B | 1.23992e+00 | |||
| Coefficient C | -7.33730e-04 | |||
| Coefficient D | 1.73790e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 291.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 358.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 418.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 471.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 519.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 560.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 597.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 630.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 658.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 683.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [400.12; 553.52] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55614e+01 | |||
| Coefficient B | -4.78036e+03 | |||
| Coefficient C | -8.71420e+01 | |||
| Temperature range, min. | 400.12 | |||
| Temperature range, max. | 553.52 | |||
| Pvap | 1.33 | kPa | 400.12 | Calculated Property |
| Pvap | 2.93 | kPa | 417.16 | Calculated Property |
| Pvap | 5.98 | kPa | 434.21 | Calculated Property |
| Pvap | 11.39 | kPa | 451.25 | Calculated Property |
| Pvap | 20.48 | kPa | 468.30 | Calculated Property |
| Pvap | 35.04 | kPa | 485.34 | Calculated Property |
| Pvap | 57.35 | kPa | 502.39 | Calculated Property |
| Pvap | 90.30 | kPa | 519.43 | Calculated Property |
| Pvap | 137.36 | kPa | 536.48 | Calculated Property |
| Pvap | 202.63 | kPa | 553.52 | Calculated Property |
| Pvap | [8.71; 584.22] | kPa | [438.00; 619.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 8.89402e+01 | |||
| Coefficient B | -1.06623e+04 | |||
| Coefficient C | -1.03762e+01 | |||
| Coefficient D | 3.53458e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 438.00 | |||
| Temperature range, max. | 619.00 | |||
| Pvap | 8.71 | kPa | 438.00 | Calculated Property |
| Pvap | 16.97 | kPa | 458.11 | Calculated Property |
| Pvap | 30.91 | kPa | 478.22 | Calculated Property |
| Pvap | 53.13 | kPa | 498.33 | Calculated Property |
| Pvap | 86.88 | kPa | 518.44 | Calculated Property |
| Pvap | 136.01 | kPa | 538.56 | Calculated Property |
| Pvap | 205.00 | kPa | 558.67 | Calculated Property |
| Pvap | 298.89 | kPa | 578.78 | Calculated Property |
| Pvap | 423.26 | kPa | 598.89 | Calculated Property |
| Pvap | 584.22 | kPa | 619.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Tetradecyne.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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