- InChI
- InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1H,3-10H2,(H,12,13)
- InChI Key
- OAOUTNMJEFWJPO-UHFFFAOYSA-N
- Formula
- C11H18O2
- SMILES
- C#CCCCCCCCCC(=O)O
- Molecular Weight1
- 182.26
- CAS
- 2777-65-3
- Other Names
-
- 10-Undecynoic acid
- Hendecynoic acid
- Undec-1-yn-11-oic acid
- 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).
- 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 | 0.7758 | Relay (1.0) Calculated Property | |
| ΔfG° | -79.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.825 | Crippen Calculated Property | |
| McVol | 164.690 | ml/mol | McGowan Calculated Property |
| Pc | 2410.00 | kPa | Joback Calculated Property |
| Tboil | 567.17 | K | Relay (1.0) Calculated Property |
| Tc | 758.18 | K | Relay (1.0) Calculated Property |
| Tfus | 316.40 ± 1.00 | K | NIST |
| Vc | 0.601 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.57; 482.27] | J/mol×K | [586.91; 776.80] | 
|
| Cp,gas | 413.57 | J/mol×K | 586.91 | Joback Calculated Property |
| Cp,gas | 426.59 | J/mol×K | 618.56 | Joback Calculated Property |
| Cp,gas | 438.94 | J/mol×K | 650.21 | Joback Calculated Property |
| Cp,gas | 450.65 | J/mol×K | 681.85 | Joback Calculated Property |
| Cp,gas | 461.76 | J/mol×K | 713.50 | Joback Calculated Property |
| Cp,gas | 472.29 | J/mol×K | 745.15 | Joback Calculated Property |
| Cp,gas | 482.27 | J/mol×K | 776.80 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 439.00 ± 1.00 | K | 0.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.32; 204.27] | kPa | [473.15; 648.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57331e+01 | |||
| Coefficient B | -5.58397e+03 | |||
| Coefficient C | -1.11932e+02 | |||
| Temperature range, min. | 473.15 | |||
| Temperature range, max. | 648.15 | |||
| Pvap | 1.32 | kPa | 473.15 | Calculated Property |
| Pvap | 2.90 | kPa | 492.59 | Calculated Property |
| Pvap | 5.91 | kPa | 512.04 | Calculated Property |
| Pvap | 11.29 | kPa | 531.48 | Calculated Property |
| Pvap | 20.35 | kPa | 550.93 | Calculated Property |
| Pvap | 34.91 | kPa | 570.37 | Calculated Property |
| Pvap | 57.30 | kPa | 589.82 | Calculated Property |
| Pvap | 90.48 | kPa | 609.26 | Calculated Property |
| Pvap | 138.05 | kPa | 628.71 | Calculated Property |
| Pvap | 204.27 | kPa | 648.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid.
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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