- InChI
- InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3-7,9,11H2,1-2H3
- InChI Key
- RUEKFLJTCZKAMH-UHFFFAOYSA-N
- Formula
- C11H20
- SMILES
- CCCC#CCCCCCC
- Molecular Weight1
- 152.28
- CAS
- 60212-31-9
- Other Names
-
- 4-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).
- 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 | 0.4160 | Relay (1.0) Calculated Property | |
| ΔfG° | 244.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 7.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 ± 0.02 | eV | NIST |
| log10WS | -4.85 | 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 | [1104.00; 1131.00] |
|
|
| Inp | 1105.00 | NIST | |
| Inp | Outlier 1131.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1104.00 | NIST | |
| Inp | 1104.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1111.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1110.00 | NIST | |
| I | [1264.70; 1290.00] |
|
|
| I | 1289.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1269.10 | NIST | |
| I | 1289.00 | NIST | |
| I | 1290.00 | NIST | |
| I | 1264.70 | NIST | |
| I | 1281.60 | NIST | |
| I | 1267.60 | NIST | |
| I | 1282.50 | NIST | |
| I | 1269.10 | NIST | |
| I | 1284.10 | NIST | |
| Tboil | 452.23 | K | Relay (1.0) Calculated Property |
| Tc | 655.75 | K | Relay (1.0) Calculated Property |
| Tfus | 216.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.606 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.94; 525.71] | 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 | 1.04470e+01 | |||
| Coefficient B | 8.99040e-01 | |||
| Coefficient C | -4.82460e-04 | |||
| Coefficient D | 9.86800e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 221.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 272.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 318.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 359.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 395.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 428.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 457.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 483.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 505.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 525.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [357.32; 499.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54159e+01 | |||
| Coefficient B | -4.31233e+03 | |||
| Coefficient C | -7.22690e+01 | |||
| Temperature range, min. | 357.32 | |||
| Temperature range, max. | 499.05 | |||
| Pvap | 1.33 | kPa | 357.32 | Calculated Property |
| Pvap | 2.94 | kPa | 373.07 | Calculated Property |
| Pvap | 6.01 | kPa | 388.82 | Calculated Property |
| Pvap | 11.45 | kPa | 404.56 | Calculated Property |
| Pvap | 20.61 | kPa | 420.31 | Calculated Property |
| Pvap | 35.23 | kPa | 436.06 | Calculated Property |
| Pvap | 57.62 | kPa | 451.81 | Calculated Property |
| Pvap | 90.60 | kPa | 467.55 | Calculated Property |
| Pvap | 137.61 | kPa | 483.30 | Calculated Property |
| Pvap | 202.66 | kPa | 499.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-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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