- 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
- 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).
- 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° | -125.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -728.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.24 | kJ/mol | Joback Calculated Property |
| log10WS | -7.39 | Crippen Calculated Property | |
| logPoct/wat | 7.197 | Crippen Calculated Property | |
| McVol | 315.760 | ml/mol | McGowan Calculated Property |
| Pc | 999.54 | kPa | Joback Calculated Property |
| Inp | [2317.00; 2317.00] |
|
|
| Inp | 2317.00 | NIST | |
| Inp | 2317.00 | NIST | |
| Tboil | 775.27 | K | Joback Calculated Property |
| Tc | 952.22 | K | Joback Calculated Property |
| Tfus | 419.06 | K | Joback Calculated Property |
| Vc | 1.234 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [976.22; 1078.32] | J/mol×K | [775.27; 952.22] |
|
| Cp,gas | 976.22 | J/mol×K | 775.27 | Joback Calculated Property |
| Cp,gas | 995.64 | J/mol×K | 804.76 | Joback Calculated Property |
| Cp,gas | 1014.07 | J/mol×K | 834.25 | Joback Calculated Property |
| Cp,gas | 1031.53 | J/mol×K | 863.74 | Joback Calculated Property |
| Cp,gas | 1048.05 | J/mol×K | 893.23 | Joback Calculated Property |
| Cp,gas | 1063.64 | J/mol×K | 922.72 | Joback Calculated Property |
| Cp,gas | 1078.32 | J/mol×K | 952.22 | Joback Calculated Property |
| η | [0.0000513; 0.0010054] | Pa×s | [419.06; 775.27] |
|
| η | 0.0010054 | Pa×s | 419.06 | Joback Calculated Property |
| η | 0.0004502 | Pa×s | 478.43 | Joback Calculated Property |
| η | 0.0002407 | Pa×s | 537.80 | Joback Calculated Property |
| η | 0.0001458 | Pa×s | 597.16 | Joback Calculated Property |
| η | 0.0000967 | Pa×s | 656.53 | Joback Calculated Property |
| η | 0.0000686 | Pa×s | 715.90 | Joback Calculated Property |
| η | 0.0000513 | Pa×s | 775.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl hexadecyl ester.
Sources
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