- InChI
- InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3
- InChI Key
- IHPFQAOOSAGSPN-UHFFFAOYSA-N
- Formula
- C12H22
- SMILES
- CCCCCC#CCCCCC
- Molecular Weight1
- 166.31
- CAS
- 6975-99-1
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4732 | Relay (1.0) Calculated Property | |
| ΔfG° | 252.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -20.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.06; 9.09] | eV |
|
| IE | 9.06 ± 0.03 | eV | NIST |
| IE | 9.09 ± 0.01 | eV | NIST |
| log10WS | -5.35 | 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 | [1200.00; 1224.00] |
|
|
| Inp | 1200.00 | NIST | |
| Inp | Outlier 1224.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1207.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Ip | [1353.70; 1383.00] |
|
|
| Ip | 1381.00 | NIST | |
| Ip | 1382.00 | NIST | |
| Ip | 1382.00 | NIST | |
| Ip | 1382.00 | NIST | |
| Ip | 1383.00 | NIST | |
| Ip | 1383.00 | NIST | |
| Ip | Outlier 1353.70 | NIST | |
| Ip | 1357.70 | NIST | |
| Ip | 1374.00 | NIST | |
| Ip | 1360.80 | NIST | |
| Ip | 1375.90 | NIST | |
| Ip | 1381.00 | NIST | |
| Ip | 1383.00 | NIST | |
| Ip | 1375.90 | NIST | |
| Tboil | 470.02 | K | Relay (1.0) Calculated Property |
| Tc | 666.14 | K | Relay (1.0) Calculated Property |
| Tfus | 231.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.659 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 60.90 | kJ/mol | 380.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 373.00 | K | 0.50 | 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; 202.64] | kPa | [371.28; 515.42] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56217e+01 | |||
| Coefficient B | -4.53605e+03 | |||
| Coefficient C | -7.54660e+01 | |||
| Temperature range, min. | 371.28 | |||
| Temperature range, max. | 515.42 | |||
| Pvap | 1.33 | kPa | 371.28 | Calculated Property |
| Pvap | 2.93 | kPa | 387.30 | Calculated Property |
| Pvap | 5.96 | kPa | 403.31 | Calculated Property |
| Pvap | 11.36 | kPa | 419.33 | Calculated Property |
| Pvap | 20.44 | kPa | 435.34 | Calculated Property |
| Pvap | 34.96 | kPa | 451.36 | Calculated Property |
| Pvap | 57.25 | kPa | 467.37 | Calculated Property |
| Pvap | 90.19 | kPa | 483.39 | Calculated Property |
| Pvap | 137.27 | kPa | 499.40 | Calculated Property |
| Pvap | 202.64 | kPa | 515.42 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-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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