- InChI
- InChI=1S/C19H34O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22-19(20)21-17-6-4-2/h2H,3,5-18H2,1H3
- InChI Key
- AKOFDARZRGPJKH-UHFFFAOYSA-N
- Formula
- C19H34O3
- SMILES
- C#CCCOC(=O)OCCCCCCCCCCCCCC
- Molecular Weight1
- 310.47
- 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° | -6.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -520.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.31 | kJ/mol | Joback Calculated Property |
| log10WS | -6.50 | Crippen Calculated Property | |
| logPoct/wat | 5.864 | Crippen Calculated Property | |
| McVol | 283.280 | ml/mol | McGowan Calculated Property |
| Pc | 1218.29 | kPa | Joback Calculated Property |
| Inp | [2138.00; 2138.00] |
|
|
| Inp | 2138.00 | NIST | |
| Inp | 2138.00 | NIST | |
| Tboil | 722.95 | K | Joback Calculated Property |
| Tc | 898.06 | K | Joback Calculated Property |
| Tfus | 445.25 | K | Joback Calculated Property |
| Vc | 1.103 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [829.41; 925.23] | J/mol×K | [722.95; 898.06] |
|
| Cp,gas | 829.41 | J/mol×K | 722.95 | Joback Calculated Property |
| Cp,gas | 847.48 | J/mol×K | 752.14 | Joback Calculated Property |
| Cp,gas | 864.68 | J/mol×K | 781.32 | Joback Calculated Property |
| Cp,gas | 881.05 | J/mol×K | 810.51 | Joback Calculated Property |
| Cp,gas | 896.58 | J/mol×K | 839.69 | Joback Calculated Property |
| Cp,gas | 911.30 | J/mol×K | 868.88 | Joback Calculated Property |
| Cp,gas | 925.23 | J/mol×K | 898.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-yn-1-yl tetradecyl ester.
Sources
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