- InChI
- InChI=1S/C12H22O3/c1-4-5-6-7-8-9-10-14-12(13)15-11(2)3/h2,4-10H2,1,3H3
- InChI Key
- NRNVYHXLRVTBKQ-UHFFFAOYSA-N
- Formula
- C12H22O3
- SMILES
- C=C(C)OC(=O)OCCCCCCCC
- Molecular Weight1
- 214.30
- 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° | -209.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -552.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 4.034 | Crippen Calculated Property | |
| McVol | 188.950 | ml/mol | McGowan Calculated Property |
| Pc | 1900.26 | kPa | Joback Calculated Property |
| Inp | 1407.00 | NIST | |
| Tboil | 569.23 | K | Joback Calculated Property |
| Tc | 744.00 | K | Joback Calculated Property |
| Tfus | 303.67 | K | Joback Calculated Property |
| Vc | 0.732 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.38; 553.20] | J/mol×K | [569.23; 744.00] | 
|
| Cp,gas | 471.38 | J/mol×K | 569.23 | Joback Calculated Property |
| Cp,gas | 486.51 | J/mol×K | 598.36 | Joback Calculated Property |
| Cp,gas | 501.04 | J/mol×K | 627.49 | Joback Calculated Property |
| Cp,gas | 514.97 | J/mol×K | 656.61 | Joback Calculated Property |
| Cp,gas | 528.30 | J/mol×K | 685.74 | Joback Calculated Property |
| Cp,gas | 541.04 | J/mol×K | 714.87 | Joback Calculated Property |
| Cp,gas | 553.20 | J/mol×K | 744.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, octyl prop-1-en-2-yl ester.
Sources
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