- InChI
- InChI=1S/C21H40O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21(22)23-19-6-4-2/h4H,2-3,5-20H2,1H3
- InChI Key
- OTRORGODLHWRCP-UHFFFAOYSA-N
- Formula
- C21H40O3
- SMILES
- C=CCCOC(=O)OCCCCCCCCCCCCCCCC
- Molecular Weight1
- 340.54
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 1.0177 | Relay (1.0) Calculated Property | |
| ΔfG° | -201.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -854.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.197 | Crippen Calculated Property | |
| McVol | 315.760 | ml/mol | McGowan Calculated Property |
| Pc | 974.13 | kPa | Joback Calculated Property |
| Inp | [2317.00; 2317.00] |
|
|
| Inp | 2317.00 | NIST | |
| Inp | 2317.00 | NIST | |
| Tboil | 635.63 | K | Relay (1.0) Calculated Property |
| Tc | 777.94 | K | Relay (1.0) Calculated Property |
| Tfus | 269.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.215 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [966.87; 1069.35] | J/mol×K | [757.40; 931.10] |
|
| Cp,gas | 966.87 | J/mol×K | 757.40 | Joback Calculated Property |
| Cp,gas | 986.38 | J/mol×K | 786.35 | Joback Calculated Property |
| Cp,gas | 1004.89 | J/mol×K | 815.30 | Joback Calculated Property |
| Cp,gas | 1022.42 | J/mol×K | 844.25 | Joback Calculated Property |
| Cp,gas | 1038.99 | J/mol×K | 873.20 | Joback Calculated Property |
| Cp,gas | 1054.63 | J/mol×K | 902.15 | Joback Calculated Property |
| Cp,gas | 1069.35 | J/mol×K | 931.10 | Joback Calculated Property |
| η | [0.0000456; 0.0013862] | Pa×s | [389.23; 757.40] |
|
| η | 0.0013862 | Pa×s | 389.23 | Joback Calculated Property |
| η | 0.0005325 | Pa×s | 450.59 | Joback Calculated Property |
| η | 0.0002573 | Pa×s | 511.95 | Joback Calculated Property |
| η | 0.0001453 | Pa×s | 573.32 | Joback Calculated Property |
| η | 0.0000916 | Pa×s | 634.68 | Joback Calculated Property |
| η | 0.0000627 | Pa×s | 696.04 | Joback Calculated Property |
| η | 0.0000456 | Pa×s | 757.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl hexadecyl ester.
Sources
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