- InChI
- InChI=1S/C14H24O3/c1-3-5-7-8-9-10-11-13-17-14(15)16-12-6-4-2/h2H,3,5-13H2,1H3
- InChI Key
- KBQICJNJWOXOSG-UHFFFAOYSA-N
- Formula
- C14H24O3
- SMILES
- C#CCCOC(=O)OCCCCCCCCC
- Molecular Weight1
- 240.34
- 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° | -48.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.18 | kJ/mol | Joback Calculated Property |
| log10WS | -4.41 | Crippen Calculated Property | |
| logPoct/wat | 3.913 | Crippen Calculated Property | |
| McVol | 212.830 | ml/mol | McGowan Calculated Property |
| Pc | 1758.02 | kPa | Joback Calculated Property |
| Inp | [1648.00; 1648.00] |
|
|
| Inp | 1648.00 | NIST | |
| Inp | 1648.00 | NIST | |
| Tboil | 608.55 | K | Joback Calculated Property |
| Tc | 784.66 | K | Joback Calculated Property |
| Tfus | 388.90 | K | Joback Calculated Property |
| Vc | 0.824 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.74; 637.15] | J/mol×K | [608.55; 784.66] |
|
| Cp,gas | 552.74 | J/mol×K | 608.55 | Joback Calculated Property |
| Cp,gas | 568.45 | J/mol×K | 637.90 | Joback Calculated Property |
| Cp,gas | 583.49 | J/mol×K | 667.25 | Joback Calculated Property |
| Cp,gas | 597.87 | J/mol×K | 696.61 | Joback Calculated Property |
| Cp,gas | 611.61 | J/mol×K | 725.96 | Joback Calculated Property |
| Cp,gas | 624.70 | J/mol×K | 755.31 | Joback Calculated Property |
| Cp,gas | 637.15 | J/mol×K | 784.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-yn-1-yl nonyl ester.
Sources
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