- InChI
- InChI=1S/C20H32O2/c1-5-7-9-10-11-12-13-14-16-20(21)22-19(15-8-6-2)17-18(3)4/h1,18-19H,6-7,9-14,16-17H2,2-4H3
- InChI Key
- VWPUMBYYXCXPPZ-UHFFFAOYSA-N
- Formula
- C20H32O2
- SMILES
-
C#CCCCCCCCCC(=O)OC(C#CCC)CC(C)
C - Molecular Weight1
- 304.47
- 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 | 0.7036 | Relay (... Calculated Property | |
| ΔfG° | 304.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -317.96 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 49.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.61 | kJ/mol | Relay (... Calculated Property |
| IE | 9.29 | eV | Relay (... Calculated Property |
| log10WS | -5.66 | Relay (... Calculated Property | |
| logPoct/wat | 5.112 | Crippen Calculated Property | |
| McVol | 282.900 | ml/mol | McGowan Calculated Property |
| Pc | 1305.17 | kPa | Joback Calculated Property |
| Inp | [2049.00; 2049.00] |
|
|
| Inp | 2049.00 | NIST | |
| Inp | 2049.00 | NIST | |
| Tboil | 580.83 | K | Relay (... Calculated Property |
| Tc | 776.56 | K | Relay (... Calculated Property |
| Tfus | 288.60 | K | Relay (... Calculated Property |
| Vc | 0.996 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [812.26; 910.12] | J/mol×K | [731.53; 922.70] |
|
| Cp,gas | 812.26 | J/mol×K | 731.53 | Joback Calculated Property |
| Cp,gas | 830.90 | J/mol×K | 763.39 | Joback Calculated Property |
| Cp,gas | 848.57 | J/mol×K | 795.25 | Joback Calculated Property |
| Cp,gas | 865.30 | J/mol×K | 827.12 | Joback Calculated Property |
| Cp,gas | 881.11 | J/mol×K | 858.98 | Joback Calculated Property |
| Cp,gas | 896.04 | J/mol×K | 890.84 | Joback Calculated Property |
| Cp,gas | 910.12 | J/mol×K | 922.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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