- InChI
- InChI=1S/C21H38O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21(22)23-19-6-4-2/h3,5,7-20H2,1-2H3
- InChI Key
- YSJNPWQADLAFJI-UHFFFAOYSA-N
- Formula
- C21H38O3
- SMILES
- CC#CCOC(=O)OCCCCCCCCCCCCCCCC
- Molecular Weight1
- 338.52
- 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 | 0.9632 | Relay (1.0) Calculated Property | |
| ΔfG° | -10.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -683.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.644 | Crippen Calculated Property | |
| McVol | 311.460 | ml/mol | McGowan Calculated Property |
| Pc | 1078.51 | kPa | Joback Calculated Property |
| Inp | [2421.00; 2421.00] |
|
|
| Inp | 2421.00 | NIST | |
| Inp | 2421.00 | NIST | |
| Tboil | 614.76 | K | Relay (1.0) Calculated Property |
| Tc | 785.28 | K | Relay (1.0) Calculated Property |
| Tfus | 305.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.185 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [955.38; 1055.10] | J/mol×K | [787.59; 971.15] |
|
| Cp,gas | 955.38 | J/mol×K | 787.59 | Joback Calculated Property |
| Cp,gas | 974.48 | J/mol×K | 818.18 | Joback Calculated Property |
| Cp,gas | 992.57 | J/mol×K | 848.78 | Joback Calculated Property |
| Cp,gas | 1009.66 | J/mol×K | 879.37 | Joback Calculated Property |
| Cp,gas | 1025.77 | J/mol×K | 909.97 | Joback Calculated Property |
| Cp,gas | 1040.91 | J/mol×K | 940.56 | Joback Calculated Property |
| Cp,gas | 1055.10 | J/mol×K | 971.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-2-yn-1-yl hexadecyl ester.
Sources
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