- InChI
- InChI=1S/C16H22O5/c1-11(2)12(3)20-15(17)8-9-16(18)21-14-7-5-6-13(10-14)19-4/h5-7,10-12H,8-9H2,1-4H3
- InChI Key
- ZJRRGYJXVQOEAR-UHFFFAOYSA-N
- Formula
- C16H22O5
- SMILES
-
COc1cccc(OC(=O)CCC(=O)OC(C)C(C
)C)c1 - Molecular Weight1
- 294.34
- 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).
- 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° | -391.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -780.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.09 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 2.968 | Crippen Calculated Property | |
| McVol | 233.290 | ml/mol | McGowan Calculated Property |
| Pc | 1815.41 | kPa | Joback Calculated Property |
| Inp | [2123.00; 2123.00] |
|
|
| Inp | 2123.00 | NIST | |
| Inp | 2123.00 | NIST | |
| Tboil | 771.26 | K | Joback Calculated Property |
| Tc | 977.91 | K | Joback Calculated Property |
| Tfus | 445.57 | K | Joback Calculated Property |
| Vc | 0.877 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [677.40; 752.15] | J/mol×K | [771.26; 977.91] |
|
| Cp,gas | 677.40 | J/mol×K | 771.26 | Joback Calculated Property |
| Cp,gas | 692.56 | J/mol×K | 805.70 | Joback Calculated Property |
| Cp,gas | 706.64 | J/mol×K | 840.14 | Joback Calculated Property |
| Cp,gas | 719.65 | J/mol×K | 874.58 | Joback Calculated Property |
| Cp,gas | 731.56 | J/mol×K | 909.03 | Joback Calculated Property |
| Cp,gas | 742.40 | J/mol×K | 943.47 | Joback Calculated Property |
| Cp,gas | 752.15 | J/mol×K | 977.91 | Joback Calculated Property |
| η | [0.0000604; 0.0008051] | Pa×s | [445.57; 771.26] |
|
| η | 0.0008051 | Pa×s | 445.57 | Joback Calculated Property |
| η | 0.0004136 | Pa×s | 499.85 | Joback Calculated Property |
| η | 0.0002420 | Pa×s | 554.13 | Joback Calculated Property |
| η | 0.0001559 | Pa×s | 608.41 | Joback Calculated Property |
| η | 0.0001079 | Pa×s | 662.70 | Joback Calculated Property |
| η | 0.0000789 | Pa×s | 716.98 | Joback Calculated Property |
| η | 0.0000604 | Pa×s | 771.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-yl 3-methoxyphenyl ester.
Sources
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