- InChI
- InChI=1S/C17H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-17(18)15-4-2/h3-12,15-16H2,1-2H3
- InChI Key
- SLUOGOVTFIUZSK-UHFFFAOYSA-N
- Formula
- C17H30O2
- SMILES
- CCCCCCCCCCC#CCOC(=O)CCC
- Molecular Weight1
- 266.42
- 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 | 0.7583 | Relay (1.0) Calculated Property | |
| ΔfG° | 61.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.864 | Crippen Calculated Property | |
| McVol | 249.230 | ml/mol | McGowan Calculated Property |
| Pc | 1430.46 | kPa | Joback Calculated Property |
| Inp | [1888.00; 1888.00] |
|
|
| Inp | 1888.00 | NIST | |
| Inp | 1888.00 | NIST | |
| Tboil | 554.98 | K | Relay (1.0) Calculated Property |
| Tc | 756.18 | K | Relay (1.0) Calculated Property |
| Tfus | 263.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.934 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [690.31; 785.60] | J/mol×K | [673.65; 854.51] |
|
| Cp,gas | 690.31 | J/mol×K | 673.65 | Joback Calculated Property |
| Cp,gas | 708.20 | J/mol×K | 703.79 | Joback Calculated Property |
| Cp,gas | 725.26 | J/mol×K | 733.94 | Joback Calculated Property |
| Cp,gas | 741.52 | J/mol×K | 764.08 | Joback Calculated Property |
| Cp,gas | 756.98 | J/mol×K | 794.22 | Joback Calculated Property |
| Cp,gas | 771.67 | J/mol×K | 824.37 | Joback Calculated Property |
| Cp,gas | 785.60 | J/mol×K | 854.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, tridec-2-ynyl ester.
Sources
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