- InChI
- InChI=1S/C17H20O4/c1-6-12(4)16(18)20-14-8-11(3)9-15(10-14)21-17(19)13(5)7-2/h6-10H,1-5H3/b12-6+,13-7+
- InChI Key
- OTIFHGKSAXGGTI-PWHKKFIBSA-N
- Formula
- C17H20O4
- SMILES
-
CC=C(C)C(=O)Oc1cc(C)cc(OC(=O)C
(C)=CC)c1 - Molecular Weight1
- 288.34
- 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).
- 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).
- I : 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 |
|---|---|---|---|
| ΔfG° | -139.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -455.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.79 | Crippen Calculated Property | |
| logPoct/wat | 3.738 | Crippen Calculated Property | |
| McVol | 232.910 | ml/mol | McGowan Calculated Property |
| Pc | 1821.61 | kPa | Joback Calculated Property |
| I | [3128.00; 3128.00] |
|
|
| I | 3128.00 | NIST | |
| I | 3128.00 | NIST | |
| Tboil | 785.66 | K | Joback Calculated Property |
| Tc | 1004.27 | K | Joback Calculated Property |
| Tfus | 439.05 | K | Joback Calculated Property |
| Vc | 0.889 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [652.36; 726.24] | J/mol×K | [785.66; 1004.27] |
|
| Cp,gas | 652.36 | J/mol×K | 785.66 | Joback Calculated Property |
| Cp,gas | 667.00 | J/mol×K | 822.09 | Joback Calculated Property |
| Cp,gas | 680.67 | J/mol×K | 858.53 | Joback Calculated Property |
| Cp,gas | 693.38 | J/mol×K | 894.96 | Joback Calculated Property |
| Cp,gas | 705.19 | J/mol×K | 931.40 | Joback Calculated Property |
| Cp,gas | 716.13 | J/mol×K | 967.83 | Joback Calculated Property |
| Cp,gas | 726.24 | J/mol×K | 1004.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Orcinyl di-tiglate.
Sources
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