- InChI
- InChI=1S/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-19(17-22)18-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3
- InChI Key
- YOYOQXRPUDEPAK-UHFFFAOYSA-N
- Formula
- C21H40O5
- SMILES
-
CCCCCCCCCC(=O)OC(CO)COC(=O)CCC
CCCC - Molecular Weight1
- 372.54
- CAS
- 177717-46-3
- 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 | 1.2271 | Relay (1.0) Calculated Property | |
| ΔfG° | -481.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1251.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.935 | Crippen Calculated Property | |
| McVol | 327.500 | ml/mol | McGowan Calculated Property |
| Pc | 1080.64 | kPa | Joback Calculated Property |
| Inp | [2560.60; 2560.60] |
|
|
| Inp | 2560.60 | NIST | |
| Inp | 2560.60 | NIST | |
| Tboil | 646.10 | K | Relay (1.0) Calculated Property |
| Tc | 824.87 | K | Relay (1.0) Calculated Property |
| Tfus | 316.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.246 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1101.15; 1185.78] | J/mol×K | [924.20; 1134.71] |
|
| Cp,gas | 1101.15 | J/mol×K | 924.20 | Joback Calculated Property |
| Cp,gas | 1118.52 | J/mol×K | 959.28 | Joback Calculated Property |
| Cp,gas | 1134.54 | J/mol×K | 994.37 | Joback Calculated Property |
| Cp,gas | 1149.24 | J/mol×K | 1029.45 | Joback Calculated Property |
| Cp,gas | 1162.66 | J/mol×K | 1064.54 | Joback Calculated Property |
| Cp,gas | 1174.83 | J/mol×K | 1099.62 | Joback Calculated Property |
| Cp,gas | 1185.78 | J/mol×K | 1134.71 | Joback Calculated Property |
| η | [0.0000057; 0.0003392] | Pa×s | [516.57; 924.20] |
|
| η | 0.0003392 | Pa×s | 516.57 | Joback Calculated Property |
| η | 0.0001157 | Pa×s | 584.51 | Joback Calculated Property |
| η | 0.0000493 | Pa×s | 652.45 | Joback Calculated Property |
| η | 0.0000247 | Pa×s | 720.38 | Joback Calculated Property |
| η | 0.0000140 | Pa×s | 788.32 | Joback Calculated Property |
| η | 0.0000086 | Pa×s | 856.26 | Joback Calculated Property |
| η | 0.0000057 | Pa×s | 924.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hydroxy-3-(octanoyloxy)propan-2-yl decanoate.
Sources
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