- InChI
- InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h1H,4-11H2,2H3
- InChI Key
- TXFNJLOAXFOJGK-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- C#CCCCCCCCCC(=O)OC
- Molecular Weight1
- 196.29
- CAS
- 2777-66-4
- Other Names
-
- Methyl 10-undecynoate
- 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).
- Inp : Non-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 | 0.6006 | Relay (1.0) Calculated Property | |
| ΔfG° | 39.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.913 | Crippen Calculated Property | |
| McVol | 178.780 | ml/mol | McGowan Calculated Property |
| Pc | 2111.94 | kPa | Joback Calculated Property |
| Inp | [1446.30; 1446.30] |
|
|
| Inp | 1446.30 | NIST | |
| Inp | 1446.30 | NIST | |
| Tboil | 521.87 | K | Relay (1.0) Calculated Property |
| Tc | 707.43 | K | Relay (1.0) Calculated Property |
| Tfus | 288.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.653 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.67; 504.37] | J/mol×K | [540.37; 720.11] |
|
| Cp,gas | 425.67 | J/mol×K | 540.37 | Joback Calculated Property |
| Cp,gas | 440.30 | J/mol×K | 570.33 | Joback Calculated Property |
| Cp,gas | 454.31 | J/mol×K | 600.28 | Joback Calculated Property |
| Cp,gas | 467.70 | J/mol×K | 630.24 | Joback Calculated Property |
| Cp,gas | 480.50 | J/mol×K | 660.20 | Joback Calculated Property |
| Cp,gas | 492.72 | J/mol×K | 690.16 | Joback Calculated Property |
| Cp,gas | 504.37 | J/mol×K | 720.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10-Undecynoic acid, methyl ester.
Sources
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