- InChI
- InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3-5,7,9-11H2,1-2H3
- InChI Key
- DPWGJNPCPLQVKQ-UHFFFAOYSA-N
- Formula
- C11H20
- SMILES
- CCC#CCCCCCCC
- Molecular Weight1
- 152.28
- CAS
- 60212-30-8
- Other Names
-
- 3-C11H20
- 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 | 0.4124 | Relay (1.0) Calculated Property | |
| ΔfG° | 244.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 3.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 ± 0.02 | eV | NIST |
| log10WS | -4.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.760 | Crippen Calculated Property | |
| McVol | 157.250 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Inp | [1111.00; 1138.00] |
|
|
| Inp | 1114.00 | NIST | |
| Inp | Outlier 1138.00 | NIST | |
| Inp | 1112.00 | NIST | |
| Inp | 1112.00 | NIST | |
| Inp | 1111.00 | NIST | |
| Inp | 1119.00 | NIST | |
| Inp | 1119.00 | NIST | |
| Inp | 1117.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1114.00 | NIST | |
| Inp | 1119.00 | NIST | |
| I | [1281.10; 1306.00] |
|
|
| I | 1306.00 | NIST | |
| I | 1306.00 | NIST | |
| I | 1306.00 | NIST | |
| I | 1306.00 | NIST | |
| I | 1305.00 | NIST | |
| I | 1305.00 | NIST | |
| I | Outlier 1281.10 | NIST | |
| I | 1283.80 | NIST | |
| I | 1300.00 | NIST | |
| I | 1285.80 | NIST | |
| I | 1301.30 | NIST | |
| I | 1306.00 | NIST | |
| I | 1305.00 | NIST | |
| I | 1301.30 | NIST | |
| Tboil | 449.03 | K | Relay (1.0) Calculated Property |
| Tc | 650.51 | K | Relay (1.0) Calculated Property |
| Tfus | 219.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.599 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [331.56; 415.23] | J/mol×K | [460.08; 642.86] |
|
| Cp,gas | 331.56 | J/mol×K | 460.08 | Joback Calculated Property |
| Cp,gas | 347.02 | J/mol×K | 490.54 | Joback Calculated Property |
| Cp,gas | 361.85 | J/mol×K | 521.01 | Joback Calculated Property |
| Cp,gas | 376.06 | J/mol×K | 551.47 | Joback Calculated Property |
| Cp,gas | 389.69 | J/mol×K | 581.93 | Joback Calculated Property |
| Cp,gas | 402.74 | J/mol×K | 612.39 | Joback Calculated Property |
| Cp,gas | 415.23 | J/mol×K | 642.86 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 353.00 ± 1.00 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [358.52; 500.62] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54172e+01 | |||
| Coefficient B | -4.32455e+03 | |||
| Coefficient C | -7.26860e+01 | |||
| Temperature range, min. | 358.52 | |||
| Temperature range, max. | 500.62 | |||
| Pvap | 1.33 | kPa | 358.52 | Calculated Property |
| Pvap | 2.94 | kPa | 374.31 | Calculated Property |
| Pvap | 6.01 | kPa | 390.10 | Calculated Property |
| Pvap | 11.45 | kPa | 405.89 | Calculated Property |
| Pvap | 20.60 | kPa | 421.68 | Calculated Property |
| Pvap | 35.23 | kPa | 437.46 | Calculated Property |
| Pvap | 57.61 | kPa | 453.25 | Calculated Property |
| Pvap | 90.59 | kPa | 469.04 | Calculated Property |
| Pvap | 137.60 | kPa | 484.83 | Calculated Property |
| Pvap | 202.66 | kPa | 500.62 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Undecyne.
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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