- InChI
- InChI=1S/C20H40O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-19(21)18-23-20(22)16-4-2/h19,21H,3-18H2,1-2H3
- InChI Key
- IOSQACMVRMGUJE-UHFFFAOYSA-N
- Formula
- C20H40O3
- SMILES
- CCCCCCCCCCCCCCC(O)COC(=O)CCC
- Molecular Weight1
- 328.53
- CAS
- 77899-01-5
- 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).
- 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° | -255.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -858.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.56 | kJ/mol | Joback Calculated Property |
| log10WS | -6.43 | Crippen Calculated Property | |
| logPoct/wat | 5.782 | Crippen Calculated Property | |
| McVol | 305.970 | ml/mol | McGowan Calculated Property |
| Pc | 1117.06 | kPa | Joback Calculated Property |
| Tboil | 825.03 | K | Joback Calculated Property |
| Tc | 1010.12 | K | Joback Calculated Property |
| Tfus | 433.14 | K | Joback Calculated Property |
| Vc | 1.192 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [987.35; 1082.21] | J/mol×K | [825.03; 1010.12] | 
|
| Cp,gas | 987.35 | J/mol×K | 825.03 | Joback Calculated Property |
| Cp,gas | 1005.56 | J/mol×K | 855.88 | Joback Calculated Property |
| Cp,gas | 1022.77 | J/mol×K | 886.73 | Joback Calculated Property |
| Cp,gas | 1039.01 | J/mol×K | 917.58 | Joback Calculated Property |
| Cp,gas | 1054.31 | J/mol×K | 948.42 | Joback Calculated Property |
| Cp,gas | 1068.70 | J/mol×K | 979.27 | Joback Calculated Property |
| Cp,gas | 1082.21 | J/mol×K | 1010.12 | Joback Calculated Property |
| η | [0.0000112; 0.0012770] | Pa×s | [433.14; 825.03] |
|
| η | 0.0012770 | Pa×s | 433.14 | Joback Calculated Property |
| η | 0.0003457 | Pa×s | 498.45 | Joback Calculated Property |
| η | 0.0001267 | Pa×s | 563.77 | Joback Calculated Property |
| η | 0.0000572 | Pa×s | 629.09 | Joback Calculated Property |
| η | 0.0000300 | Pa×s | 694.40 | Joback Calculated Property |
| η | 0.0000176 | Pa×s | 759.71 | Joback Calculated Property |
| η | 0.0000112 | Pa×s | 825.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyhexadecyl butanoate.
Sources
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