- InChI
- InChI=1S/C18H30O6/c1-7-12(4)22-16(19)10-15(18(21)24-14(6)9-3)11-17(20)23-13(5)8-2/h10,12-14H,7-9,11H2,1-6H3/b15-10-
- InChI Key
- RNKDXUCWFNMDKW-GDNBJRDFSA-N
- Formula
- C18H30O6
- SMILES
-
CCC(C)OC(=O)C=C(CC(=O)OC(C)CC)
C(=O)OC(C)CC - Molecular Weight1
- 342.43
- CAS
- 111530-50-8
- Other Names
-
- Tri(sec-butyl) (1z)-1-propene-1,2,3-tricarboxylate
- 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).
- 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 | 0.8580 | Relay (... Calculated Property | |
| ΔfG° | -536.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1311.83 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.51 | kJ/mol | Relay (... Calculated Property |
| IE | 9.24 | eV | Relay (... Calculated Property |
| log10WS | -3.56 | Relay (... Calculated Property | |
| logPoct/wat | 3.328 | Crippen Calculated Property | |
| McVol | 282.500 | ml/mol | McGowan Calculated Property |
| Pc | 1344.71 | kPa | Joback Calculated Property |
| Tboil | 585.95 | K | Relay (... Calculated Property |
| Tc | 757.56 | K | Relay (... Calculated Property |
| Tfus | 257.93 | K | Relay (... Calculated Property |
| Vc | 1.049 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [876.99; 954.03] | J/mol×K | [842.83; 1040.87] | 
|
| Cp,gas | 876.99 | J/mol×K | 842.83 | Joback Calculated Property |
| Cp,gas | 892.55 | J/mol×K | 875.84 | Joback Calculated Property |
| Cp,gas | 907.00 | J/mol×K | 908.84 | Joback Calculated Property |
| Cp,gas | 920.36 | J/mol×K | 941.85 | Joback Calculated Property |
| Cp,gas | 932.64 | J/mol×K | 974.86 | Joback Calculated Property |
| Cp,gas | 943.86 | J/mol×K | 1007.87 | Joback Calculated Property |
| Cp,gas | 954.03 | J/mol×K | 1040.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-Propenetricarboxylic acid, tris(1-methylpropyl) ester.
Sources
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