- InChI
- InChI=1S/C21H38O2/c1-3-5-7-9-11-13-15-17-19-21(22)23-20-18-16-14-12-10-8-6-4-2/h1H,4-20H2,2H3
- InChI Key
- WIBJHNGPNUHEMK-UHFFFAOYSA-N
- Formula
- C21H38O2
- SMILES
- C#CCCCCCCCCC(=O)OCCCCCCCCCC
- Molecular Weight1
- 322.53
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 115.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -429.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.35 | kJ/mol | Joback Calculated Property |
| log10WS | -7.27 | Crippen Calculated Property | |
| logPoct/wat | 6.424 | Crippen Calculated Property | |
| McVol | 305.590 | ml/mol | McGowan Calculated Property |
| Pc | 1082.06 | kPa | Joback Calculated Property |
| Inp | [2210.00; 2210.00] |
|
|
| Inp | 2210.00 | NIST | |
| Inp | 2210.00 | NIST | |
| Tboil | 746.29 | K | Joback Calculated Property |
| Tc | 922.33 | K | Joback Calculated Property |
| Tfus | 445.56 | K | Joback Calculated Property |
| Vc | 1.198 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [915.82; 1017.13] | J/mol×K | [746.29; 922.33] |
|
| Cp,gas | 915.82 | J/mol×K | 746.29 | Joback Calculated Property |
| Cp,gas | 934.91 | J/mol×K | 775.63 | Joback Calculated Property |
| Cp,gas | 953.08 | J/mol×K | 804.97 | Joback Calculated Property |
| Cp,gas | 970.36 | J/mol×K | 834.31 | Joback Calculated Property |
| Cp,gas | 986.77 | J/mol×K | 863.65 | Joback Calculated Property |
| Cp,gas | 1002.35 | J/mol×K | 892.99 | Joback Calculated Property |
| Cp,gas | 1017.13 | J/mol×K | 922.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, decyl ester.
Sources
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