- InChI
- InChI=1S/C21H40O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-15-21(5)16-14-20(22)23-21/h17-19H,6-16H2,1-5H3
- InChI Key
- LGWNRNDWDZHUNP-UHFFFAOYSA-N
- Formula
- C21H40O2
- SMILES
-
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC
(=O)O1 - Molecular Weight1
- 324.54
- CAS
- 96168-15-9
- Other Names
-
- 5-Methyl-5-(4,8,12-trimethyltridecyl)dihydrofuran-2(3H)-one
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.8036 | Relay (1.0) Calculated Property | |
| ΔfG° | -59.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -805.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.521 | Crippen Calculated Property | |
| McVol | 303.330 | ml/mol | McGowan Calculated Property |
| Pc | 1142.12 | kPa | Joback Calculated Property |
| Inp | [2364.20; 2364.20] |
|
|
| Inp | 2364.20 | NIST | |
| Inp | 2364.20 | NIST | |
| Tboil | 641.43 | K | Relay (1.0) Calculated Property |
| Tc | 817.60 | K | Relay (1.0) Calculated Property |
| Tfus | 263.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.132 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [981.94; 1105.81] | J/mol×K | [788.85; 986.27] |
|
| Cp,gas | 981.94 | J/mol×K | 788.85 | Joback Calculated Property |
| Cp,gas | 1004.50 | J/mol×K | 821.75 | Joback Calculated Property |
| Cp,gas | 1026.17 | J/mol×K | 854.66 | Joback Calculated Property |
| Cp,gas | 1047.03 | J/mol×K | 887.56 | Joback Calculated Property |
| Cp,gas | 1067.20 | J/mol×K | 920.47 | Joback Calculated Property |
| Cp,gas | 1086.76 | J/mol×K | 953.37 | Joback Calculated Property |
| Cp,gas | 1105.81 | J/mol×K | 986.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,8,12,16-Tetramethylheptadecan-4-olide.
Sources
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