- InChI
- InChI=1S/C20H34O2/c1-3-5-7-9-10-11-12-13-14-15-17-19-22-20(21)18-16-8-6-4-2/h16,18H,3-14,19H2,1-2H3/b18-16+
- InChI Key
- YNIDCNRJHZEQKP-FBMGVBCBSA-N
- Formula
- C20H34O2
- SMILES
- CCCCC=CC(=O)OCC#CCCCCCCCCCC
- Molecular Weight1
- 306.48
- 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 | 0.8211 | Relay (1.0) Calculated Property | |
| ΔfG° | 166.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -420.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.810 | Crippen Calculated Property | |
| McVol | 287.200 | ml/mol | McGowan Calculated Property |
| Pc | 1205.63 | kPa | Joback Calculated Property |
| Inp | [2595.00; 2595.00] |
|
|
| Inp | 2595.00 | NIST | |
| Inp | 2595.00 | NIST | |
| Tboil | 579.98 | K | Relay (1.0) Calculated Property |
| Tc | 787.40 | K | Relay (1.0) Calculated Property |
| Tfus | 270.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.052 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [839.80; 937.88] | J/mol×K | [746.45; 931.40] |
|
| Cp,gas | 839.80 | J/mol×K | 746.45 | Joback Calculated Property |
| Cp,gas | 858.34 | J/mol×K | 777.27 | Joback Calculated Property |
| Cp,gas | 875.96 | J/mol×K | 808.10 | Joback Calculated Property |
| Cp,gas | 892.68 | J/mol×K | 838.92 | Joback Calculated Property |
| Cp,gas | 908.56 | J/mol×K | 869.75 | Joback Calculated Property |
| Cp,gas | 923.61 | J/mol×K | 900.57 | Joback Calculated Property |
| Cp,gas | 937.88 | J/mol×K | 931.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptenoic acid, tridec-2-yn-1-yl ester.
Sources
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