- InChI
- InChI=1S/C18H32O2/c1-3-5-7-9-10-11-12-14-16-18(19)20-17-15-13-8-6-4-2/h1H,4-17H2,2H3
- InChI Key
- MKFIZUJFXMISMS-UHFFFAOYSA-N
- Formula
- C18H32O2
- SMILES
- C#CCCCCCCCCC(=O)OCCCCCCC
- Molecular Weight1
- 280.45
- 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° | 89.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.68 | kJ/mol | Joback Calculated Property |
| log10WS | -6.01 | Crippen Calculated Property | |
| logPoct/wat | 5.254 | Crippen Calculated Property | |
| McVol | 263.320 | ml/mol | McGowan Calculated Property |
| Pc | 1320.39 | kPa | Joback Calculated Property |
| Inp | [1910.00; 1910.00] |
|
|
| Inp | 1910.00 | NIST | |
| Inp | 1910.00 | NIST | |
| Tboil | 677.65 | K | Joback Calculated Property |
| Tc | 851.34 | K | Joback Calculated Property |
| Tfus | 411.75 | K | Joback Calculated Property |
| Vc | 1.030 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [740.83; 836.34] | J/mol×K | [677.65; 851.34] |
|
| Cp,gas | 740.83 | J/mol×K | 677.65 | Joback Calculated Property |
| Cp,gas | 758.71 | J/mol×K | 706.60 | Joback Calculated Property |
| Cp,gas | 775.78 | J/mol×K | 735.55 | Joback Calculated Property |
| Cp,gas | 792.05 | J/mol×K | 764.49 | Joback Calculated Property |
| Cp,gas | 807.55 | J/mol×K | 793.44 | Joback Calculated Property |
| Cp,gas | 822.31 | J/mol×K | 822.39 | Joback Calculated Property |
| Cp,gas | 836.34 | J/mol×K | 851.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, heptyl ester.
Sources
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