- InChI
- InChI=1S/C33H50O10/c1-17(9-12-28(38)39-8)23-10-11-24-29-25(16-27(33(23,24)7)41-19(3)35)32(6)14-13-22(40-18(2)34)15-26(32)30(42-20(4)36)31(29)43-21(5)37/h17,22-27,29-31H,9-16H2,1-8H3/t17?,22-,23?,24?,25?,26+,27+,29?,30-,31+,32?,33?/m0/s1
- InChI Key
- NDZQWHMQQJDYRD-TWDHDTBOSA-N
- Formula
- C33H50O10
- SMILES
-
COC(=O)CCC(C)C1CCC2C3C(OC(C)=O
)C(OC(C)=O)C4CC(OC(C)=O)CCC4(C )C3CC(OC(C)=O)C12C - Molecular Weight1
- 606.74
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -827.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1805.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.49 | kJ/mol | Joback Calculated Property |
| log10WS | -6.04 | Crippen Calculated Property | |
| logPoct/wat | 4.791 | Crippen Calculated Property | |
| McVol | 469.590 | ml/mol | McGowan Calculated Property |
| Pc | 753.08 | kPa | Joback Calculated Property |
| Inp | 3474.00 | NIST | |
| Tboil | 1351.55 | K | Joback Calculated Property |
| Tc | 1693.42 | K | Joback Calculated Property |
| Tfus | 879.75 | K | Joback Calculated Property |
| Vc | 1.774 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2042.51; 2425.51] | J/mol×K | [1351.55; 1693.42] | 
|
| Cp,gas | 2042.51 | J/mol×K | 1351.55 | Joback Calculated Property |
| Cp,gas | 2094.96 | J/mol×K | 1408.53 | Joback Calculated Property |
| Cp,gas | 2150.91 | J/mol×K | 1465.51 | Joback Calculated Property |
| Cp,gas | 2211.16 | J/mol×K | 1522.48 | Joback Calculated Property |
| Cp,gas | 2276.49 | J/mol×K | 1579.46 | Joback Calculated Property |
| Cp,gas | 2347.67 | J/mol×K | 1636.44 | Joback Calculated Property |
| Cp,gas | 2425.51 | J/mol×K | 1693.42 | Joback Calculated Property |
Similar Compounds
Sources
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