- InChI
- InChI=1S/C21H28O3/c1-16-8-9-17(2)21(3,13-10-18-11-14-24-15-18)12-6-5-7-19(16)20(22)23-4/h5-7,11,14-15,17H,1,8-10,12-13H2,2-4H3/b6-5-,19-7+/t17-,21+/m0/s1
- InChI Key
- UQBKEKGILPGMIT-VLNUDNINSA-N
- Formula
- C21H28O3
- SMILES
-
C=C1CCC(C)C(C)(CCc2ccoc2)CC=CC
=C1C(=O)OC - Molecular Weight1
- 328.45
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.5639 | Relay (1.0) Calculated Property | |
| ΔfG° | 76.15 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -377.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.250 | Crippen Calculated Property | |
| McVol | 276.840 | ml/mol | McGowan Calculated Property |
| Pc | 1352.00 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2430.00; 2430.00] |
|
|
| Inp | 2430.00 | NIST | |
| Inp | 2430.00 | NIST | |
| Tboil | 653.90 | K | Relay (1.0) Calculated Property |
| Tc | 871.30 | K | Relay (1.0) Calculated Property |
| Tfus | 331.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.916 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methyl strictate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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