- InChI
- InChI=1S/C16H28O3/c1-3-5-7-8-9-10-11-12-13-15-19-16(17)18-14-6-4-2/h3,5,7-15H2,1-2H3
- InChI Key
- OPSWHJLDLSKMQZ-UHFFFAOYSA-N
- Formula
- C16H28O3
- SMILES
- CC#CCOC(=O)OCCCCCCCCCCC
- Molecular Weight1
- 268.39
- 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 | 0.7858 | Relay (1.0) Calculated Property | |
| ΔfG° | -52.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -577.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.694 | Crippen Calculated Property | |
| McVol | 241.010 | ml/mol | McGowan Calculated Property |
| Pc | 1519.94 | kPa | Joback Calculated Property |
| Inp | [1930.00; 1930.00] |
|
|
| Inp | 1930.00 | NIST | |
| Inp | 1930.00 | NIST | |
| Tboil | 571.91 | K | Relay (1.0) Calculated Property |
| Tc | 736.70 | K | Relay (1.0) Calculated Property |
| Tfus | 279.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.907 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [664.55; 756.07] | J/mol×K | [673.19; 854.70] |
|
| Cp,gas | 664.55 | J/mol×K | 673.19 | Joback Calculated Property |
| Cp,gas | 681.75 | J/mol×K | 703.44 | Joback Calculated Property |
| Cp,gas | 698.16 | J/mol×K | 733.69 | Joback Calculated Property |
| Cp,gas | 713.79 | J/mol×K | 763.94 | Joback Calculated Property |
| Cp,gas | 728.65 | J/mol×K | 794.20 | Joback Calculated Property |
| Cp,gas | 742.74 | J/mol×K | 824.45 | Joback Calculated Property |
| Cp,gas | 756.07 | J/mol×K | 854.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-2-yn-1-yl undecyl ester.
Sources
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