- InChI
- InChI=1S/C22H32O2/c1-3-4-5-6-7-8-9-10-11-12-16-19-24-22(23)20(2)21-17-14-13-15-18-21/h13-15,17-18,20H,3-11,19H2,1-2H3
- InChI Key
- YHGYEFHSUCZMQR-UHFFFAOYSA-N
- Formula
- C22H32O2
- SMILES
-
CCCCCCCCCCC#CCOC(=O)C(C)c1cccc
c1 - Molecular Weight1
- 328.49
- 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° | 213.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.76 | kJ/mol | Joback Calculated Property |
| log10WS | -6.76 | Crippen Calculated Property | |
| logPoct/wat | 5.868 | Crippen Calculated Property | |
| McVol | 295.920 | ml/mol | McGowan Calculated Property |
| Pc | 1289.29 | kPa | Joback Calculated Property |
| Inp | [2423.00; 2423.00] |
|
|
| Inp | 2423.00 | NIST | |
| Inp | 2423.00 | NIST | |
| Tboil | 814.29 | K | Joback Calculated Property |
| Tc | 1019.60 | K | Joback Calculated Property |
| Tfus | 527.38 | K | Joback Calculated Property |
| Vc | 1.139 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [896.52; 990.05] | J/mol×K | [814.29; 1019.60] |
|
| Cp,gas | 896.52 | J/mol×K | 814.29 | Joback Calculated Property |
| Cp,gas | 914.88 | J/mol×K | 848.51 | Joback Calculated Property |
| Cp,gas | 932.07 | J/mol×K | 882.73 | Joback Calculated Property |
| Cp,gas | 948.14 | J/mol×K | 916.95 | Joback Calculated Property |
| Cp,gas | 963.13 | J/mol×K | 951.16 | Joback Calculated Property |
| Cp,gas | 977.08 | J/mol×K | 985.38 | Joback Calculated Property |
| Cp,gas | 990.05 | J/mol×K | 1019.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydratropic acid, tridec-2-yn-1-yl ester.
Sources
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