- InChI
- InChI=1S/C18H24O6/c1-4-7-16(19)22-13-10-11-14(23-17(20)8-5-2)15(12-13)24-18(21)9-6-3/h10-12H,4-9H2,1-3H3
- InChI Key
- RBRYTTOGADCOGW-UHFFFAOYSA-N
- Formula
- C18H24O6
- SMILES
-
CCCC(=O)Oc1ccc(OC(=O)CCC)c(OC(
=O)CCC)c1 - Molecular Weight1
- 336.38
- CAS
- 111443-88-0
- 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).
- 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).
- 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° | -507.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -935.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.73 | kJ/mol | Joback Calculated Property |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 3.803 | Crippen Calculated Property | |
| McVol | 263.040 | ml/mol | McGowan Calculated Property |
| Pc | 1591.08 | kPa | Joback Calculated Property |
| Tboil | 876.75 | K | Joback Calculated Property |
| Tc | 1085.35 | K | Joback Calculated Property |
| Tfus | 560.56 | K | Joback Calculated Property |
| Vc | 1.008 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [804.17; 865.90] | J/mol×K | [876.75; 1085.35] | 
|
| Cp,gas | 804.17 | J/mol×K | 876.75 | Joback Calculated Property |
| Cp,gas | 817.48 | J/mol×K | 911.52 | Joback Calculated Property |
| Cp,gas | 829.59 | J/mol×K | 946.28 | Joback Calculated Property |
| Cp,gas | 840.49 | J/mol×K | 981.05 | Joback Calculated Property |
| Cp,gas | 850.17 | J/mol×K | 1015.82 | Joback Calculated Property |
| Cp,gas | 858.65 | J/mol×K | 1050.59 | Joback Calculated Property |
| Cp,gas | 865.90 | J/mol×K | 1085.35 | Joback Calculated Property |
| η | [0.0000531; 0.0003753] | Pa×s | [560.56; 876.75] |
|
| η | 0.0003753 | Pa×s | 560.56 | Joback Calculated Property |
| η | 0.0002355 | Pa×s | 613.26 | Joback Calculated Property |
| η | 0.0001590 | Pa×s | 665.96 | Joback Calculated Property |
| η | 0.0001138 | Pa×s | 718.65 | Joback Calculated Property |
| η | 0.0000852 | Pa×s | 771.35 | Joback Calculated Property |
| η | 0.0000662 | Pa×s | 824.05 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 876.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4-Benzenetriol, tributyrate.
Sources
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