- InChI
- InChI=1S/C21H36O4/c1-4-6-7-8-9-10-11-12-13-14-18-24-20(22)16-15-17-21(23)25-19(3)5-2/h5,13-14,19H,2,4,6-12,15-18H2,1,3H3/b14-13+
- InChI Key
- VWHMBRMQYHRSRX-BUHFOSPRSA-N
- Formula
- C21H36O4
- SMILES
-
C=CC(C)OC(=O)CCCC(=O)OCC=CCCCC
CCCCC - Molecular Weight1
- 352.51
- 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 | 0.9189 | Relay (... Calculated Property | |
| ΔfG° | -176.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -943.34 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 51.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.54 | kJ/mol | Relay (... Calculated Property |
| IE | 9.09 | eV | Relay (... Calculated Property |
| log10WS | -5.07 | Relay (... Calculated Property | |
| logPoct/wat | 5.514 | Crippen Calculated Property | |
| McVol | 313.030 | ml/mol | McGowan Calculated Property |
| Pc | 1082.06 | kPa | Joback Calculated Property |
| Inp | [2361.00; 2361.00] |
|
|
| Inp | 2361.00 | NIST | |
| Inp | 2361.00 | NIST | |
| Tboil | 622.08 | K | Relay (... Calculated Property |
| Tc | 781.75 | K | Relay (... Calculated Property |
| Tfus | 259.18 | K | Relay (... Calculated Property |
| Vc | 1.142 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [977.48; 1068.41] | J/mol×K | [832.86; 1022.98] |
|
| Cp,gas | 977.48 | J/mol×K | 832.86 | Joback Calculated Property |
| Cp,gas | 995.11 | J/mol×K | 864.55 | Joback Calculated Property |
| Cp,gas | 1011.70 | J/mol×K | 896.23 | Joback Calculated Property |
| Cp,gas | 1027.29 | J/mol×K | 927.92 | Joback Calculated Property |
| Cp,gas | 1041.92 | J/mol×K | 959.60 | Joback Calculated Property |
| Cp,gas | 1055.62 | J/mol×K | 991.29 | Joback Calculated Property |
| Cp,gas | 1068.41 | J/mol×K | 1022.98 | Joback Calculated Property |
| η | [0.0000394; 0.0008337] | Pa×s | [448.91; 832.86] |
|
| η | 0.0008337 | Pa×s | 448.91 | Joback Calculated Property |
| η | 0.0003649 | Pa×s | 512.90 | Joback Calculated Property |
| η | 0.0001918 | Pa×s | 576.89 | Joback Calculated Property |
| η | 0.0001147 | Pa×s | 640.88 | Joback Calculated Property |
| η | 0.0000752 | Pa×s | 704.88 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 768.87 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 832.86 | Joback Calculated Property |
Similar Compounds
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Sources
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