- InChI
- InChI=1S/C18H26O4/c1-5-16(15-9-7-6-8-10-15)22-18(20)12-11-17(19)21-14(4)13(2)3/h6-10,13-14,16H,5,11-12H2,1-4H3
- InChI Key
- BIJZEPKVXUHZMM-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
CCC(OC(=O)CCC(=O)OC(C)C(C)C)c1
ccccc1 - Molecular Weight1
- 306.40
- 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° | -262.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -683.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.51 | Crippen Calculated Property | |
| logPoct/wat | 4.049 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1601.28 | kPa | Joback Calculated Property |
| Inp | [2003.00; 2003.00] |
|
|
| Inp | 2003.00 | NIST | |
| Inp | 2003.00 | NIST | |
| Tboil | 789.18 | K | Joback Calculated Property |
| Tc | 995.57 | K | Joback Calculated Property |
| Tfus | 418.36 | K | Joback Calculated Property |
| Vc | 0.966 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [763.54; 844.78] | J/mol×K | [789.18; 995.57] |
|
| Cp,gas | 763.54 | J/mol×K | 789.18 | Joback Calculated Property |
| Cp,gas | 779.91 | J/mol×K | 823.58 | Joback Calculated Property |
| Cp,gas | 795.11 | J/mol×K | 857.98 | Joback Calculated Property |
| Cp,gas | 809.18 | J/mol×K | 892.38 | Joback Calculated Property |
| Cp,gas | 822.13 | J/mol×K | 926.78 | Joback Calculated Property |
| Cp,gas | 833.99 | J/mol×K | 961.18 | Joback Calculated Property |
| Cp,gas | 844.78 | J/mol×K | 995.57 | Joback Calculated Property |
| η | [0.0000555; 0.0014242] | Pa×s | [418.36; 789.18] |
|
| η | 0.0014242 | Pa×s | 418.36 | Joback Calculated Property |
| η | 0.0005856 | Pa×s | 480.16 | Joback Calculated Property |
| η | 0.0002949 | Pa×s | 541.97 | Joback Calculated Property |
| η | 0.0001709 | Pa×s | 603.77 | Joback Calculated Property |
| η | 0.0001096 | Pa×s | 665.57 | Joback Calculated Property |
| η | 0.0000758 | Pa×s | 727.38 | Joback Calculated Property |
| η | 0.0000555 | Pa×s | 789.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-yl 1-phenylpropyl ester.
Sources
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