- InChI
- InChI=1S/C12H20O3/c1-3-5-7-8-9-11-15-12(13)14-10-6-4-2/h3,5,7-11H2,1-2H3
- InChI Key
- AAWSOYWONWMRIM-UHFFFAOYSA-N
- Formula
- C12H20O3
- SMILES
- CC#CCOC(=O)OCCCCCCC
- Molecular Weight1
- 212.29
- 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).
- 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 | 0.6366 | Relay (1.0) Calculated Property | |
| ΔfG° | -85.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -491.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.133 | Crippen Calculated Property | |
| McVol | 184.650 | ml/mol | McGowan Calculated Property |
| Pc | 2102.27 | kPa | Joback Calculated Property |
| Tboil | 523.52 | K | Relay (1.0) Calculated Property |
| Tc | 684.55 | K | Relay (1.0) Calculated Property |
| Tfus | 253.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.685 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [454.50; 534.89] | J/mol×K | [581.67; 769.31] | 
|
| Cp,gas | 454.50 | J/mol×K | 581.67 | Joback Calculated Property |
| Cp,gas | 469.43 | J/mol×K | 612.94 | Joback Calculated Property |
| Cp,gas | 483.74 | J/mol×K | 644.22 | Joback Calculated Property |
| Cp,gas | 497.45 | J/mol×K | 675.49 | Joback Calculated Property |
| Cp,gas | 510.54 | J/mol×K | 706.76 | Joback Calculated Property |
| Cp,gas | 523.02 | J/mol×K | 738.04 | Joback Calculated Property |
| Cp,gas | 534.89 | J/mol×K | 769.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-2-yn-1-yl heptyl ester.
Sources
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