- InChI
- InChI=1S/C16H28O3/c1-3-5-7-8-9-10-11-12-13-15-19-16(17)18-14-6-4-2/h2H,3,5-15H2,1H3
- InChI Key
- LDLYPXIKWJSBHT-UHFFFAOYSA-N
- Formula
- C16H28O3
- SMILES
- C#CCCOC(=O)OCCCCCCCCCCC
- Molecular Weight1
- 268.39
- 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° | -32.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -458.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.63 | kJ/mol | Joback Calculated Property |
| log10WS | -5.24 | Crippen Calculated Property | |
| logPoct/wat | 4.694 | Crippen Calculated Property | |
| McVol | 241.010 | ml/mol | McGowan Calculated Property |
| Pc | 1505.81 | kPa | Joback Calculated Property |
| Inp | [1842.00; 1842.00] |
|
|
| Inp | 1842.00 | NIST | |
| Inp | 1842.00 | NIST | |
| Tboil | 654.31 | K | Joback Calculated Property |
| Tc | 828.78 | K | Joback Calculated Property |
| Tfus | 411.44 | K | Joback Calculated Property |
| Vc | 0.935 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [659.53; 749.17] | J/mol×K | [654.31; 828.78] |
|
| Cp,gas | 659.53 | J/mol×K | 654.31 | Joback Calculated Property |
| Cp,gas | 676.29 | J/mol×K | 683.39 | Joback Calculated Property |
| Cp,gas | 692.31 | J/mol×K | 712.47 | Joback Calculated Property |
| Cp,gas | 707.59 | J/mol×K | 741.55 | Joback Calculated Property |
| Cp,gas | 722.16 | J/mol×K | 770.63 | Joback Calculated Property |
| Cp,gas | 736.01 | J/mol×K | 799.70 | Joback Calculated Property |
| Cp,gas | 749.17 | J/mol×K | 828.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-yn-1-yl undecyl ester.
Sources
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