- InChI
- InChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-8,13-14H2,1-2H3
- InChI Key
- MYMVMGJYNYKGGP-UHFFFAOYSA-N
- Formula
- C14H22
- SMILES
- CCCCC#CCCC#CCCCC
- Molecular Weight1
- 190.33
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4217 | Relay (1.0) Calculated Property | |
| ΔfG° | 472.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 169.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.154 | Crippen Calculated Property | |
| McVol | 190.920 | ml/mol | McGowan Calculated Property |
| Pc | 1989.43 | kPa | Joback Calculated Property |
| Tboil | 494.25 | K | Relay (1.0) Calculated Property |
| Tc | 700.71 | K | Relay (1.0) Calculated Property |
| Tfus | 246.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.705 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 406.00 ± 1.00 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.68; 619.36] | 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 | 2.52780e+01 | |||
| Coefficient B | 1.03424e+00 | |||
| Coefficient C | -5.53520e-04 | |||
| Coefficient D | 1.13360e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 268.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 326.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 379.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 426.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 469.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 506.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 540.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 570.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 596.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 619.36 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 5,9-Tetradecadiyne.
Sources
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