- InChI
- InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,7-12H2,1-2H3
- InChI Key
- NDIJGAGRSOPRNJ-UHFFFAOYSA-N
- Formula
- C12H22
- SMILES
- CC#CCCCCCCCCC
- Molecular Weight1
- 166.30
- CAS
- 629-49-2
- Other Names
-
- 2-C12H22
- 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).
- 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 | 0.4754 | Relay (1.0) Calculated Property | |
| ΔfG° | 252.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -20.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 ± 0.02 | eV | NIST |
| log10WS | -5.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.150 | Crippen Calculated Property | |
| McVol | 171.340 | ml/mol | McGowan Calculated Property |
| Pc | 2047.46 | kPa | Joback Calculated Property |
| Inp | [1239.00; 1264.00] |
|
|
| Inp | 1241.00 | NIST | |
| Inp | Outlier 1264.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1239.00 | NIST | |
| Inp | 1251.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Inp | 1250.00 | NIST | |
| I | [1426.70; 1467.00] |
|
|
| I | 1434.00 | NIST | |
| I | 1441.20 | NIST | |
| I | 1445.90 | NIST | |
| I | 1463.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1466.00 | NIST | |
| I | 1467.00 | NIST | |
| I | 1426.70 | NIST | |
| I | 1430.90 | NIST | |
| I | 1452.00 | NIST | |
| I | 1434.70 | NIST | |
| I | 1455.00 | NIST | |
| I | 1434.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1430.90 | NIST | |
| Tboil | 479.42 | K | Relay (1.0) Calculated Property |
| Tc | 683.54 | K | Relay (1.0) Calculated Property |
| Tfus | 261.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.660 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 378.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.15; 577.30] | 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 | 9.53800e+00 | |||
| Coefficient B | 9.94040e-01 | |||
| Coefficient C | -5.36860e-04 | |||
| Coefficient D | 1.10580e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 243.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 298.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 349.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 394.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 434.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 470.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 502.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 530.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 555.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 577.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [379.32; 512.79] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.65815e+01 | |||
| Coefficient B | -4.87850e+03 | |||
| Coefficient C | -7.99140e+01 | |||
| Temperature range, min. | 379.32 | |||
| Temperature range, max. | 512.79 | |||
| Pvap | 1.33 | kPa | 379.32 | Calculated Property |
| Pvap | 2.88 | kPa | 394.15 | Calculated Property |
| Pvap | 5.79 | kPa | 408.98 | Calculated Property |
| Pvap | 10.97 | kPa | 423.81 | Calculated Property |
| Pvap | 19.73 | kPa | 438.64 | Calculated Property |
| Pvap | 33.85 | kPa | 453.47 | Calculated Property |
| Pvap | 55.73 | kPa | 468.30 | Calculated Property |
| Pvap | 88.46 | kPa | 483.13 | Calculated Property |
| Pvap | 135.88 | kPa | 497.96 | Calculated Property |
| Pvap | 202.66 | kPa | 512.79 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Dodecyne.
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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