- InChI
- InChI=1S/C14H20/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-5,10-14H2
- InChI Key
- BVTCHBNCNJEJTD-UHFFFAOYSA-N
- Formula
- C14H20
- SMILES
- C1#CCCCCCC#CCCCCC1
- Molecular Weight1
- 188.31
- CAS
- 1540-80-3
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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).
- Pvap : Vapor pressure (kPa).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -8515.20 ± 1.70 | kJ/mol | NIST |
| ΔfH°gas | 313.80 ± 4.00 | kJ/mol | NIST |
| ΔfH°solid | 147.70 ± 2.30 | kJ/mol | NIST |
| ΔsubH° | [94.30; 166.10] | kJ/mol |
|
| ΔsubH° | 94.30 | kJ/mol | NIST |
| ΔsubH° | 166.10 | kJ/mol | NIST |
| log10WS | -5.17 | Crippen Calculated Property | |
| logPoct/wat | 3.908 | Crippen Calculated Property | |
| McVol | 180.060 | ml/mol | McGowan Calculated Property |
| Tfus | 370.00 ± 0.30 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [22.60; 22.60] | kJ/mol | [370.00; 370.00] |
|
| ΔfusH | 22.60 | kJ/mol | 370.00 | NIST |
| ΔfusH | 22.60 | kJ/mol | 370.00 | NIST |
| ΔsubH | [87.60; 166.00] | kJ/mol | [324.50; 355.00] |
|
| ΔsubH | 166.00 ± 3.20 | kJ/mol | 324.50 | NIST |
| ΔsubH | 87.60 ± 1.00 | kJ/mol | 339.50 | NIST |
| ΔsubH | 166.00 ± 3.20 | kJ/mol | 355.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [351.88; 618.32] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 7.79785e+00 | |||
| Coefficient B | -9.90328e+02 | |||
| Coefficient C | -2.20016e+02 | |||
| Temperature range, min. | 351.88 | |||
| Temperature range, max. | 618.32 | |||
| Pvap | 1.33 | kPa | 351.88 | Calculated Property |
| Pvap | 5.28 | kPa | 381.48 | Calculated Property |
| Pvap | 13.67 | kPa | 411.09 | Calculated Property |
| Pvap | 27.39 | kPa | 440.69 | Calculated Property |
| Pvap | 46.57 | kPa | 470.30 | Calculated Property |
| Pvap | 70.78 | kPa | 499.90 | Calculated Property |
| Pvap | 99.28 | kPa | 529.51 | Calculated Property |
| Pvap | 131.28 | kPa | 559.11 | Calculated Property |
| Pvap | 165.98 | kPa | 588.72 | Calculated Property |
| Pvap | 202.65 | kPa | 618.32 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,8-Cyclotetradecadiyne.
Sources
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