- InChI
- InChI=1S/C17H24O4/c1-3-4-5-11-20-16(18)9-10-17(19)21-13-15-8-6-7-14(2)12-15/h6-8,12H,3-5,9-11,13H2,1-2H3
- InChI Key
- VRXROLMJQAWDRZ-UHFFFAOYSA-N
- Formula
- C17H24O4
- SMILES
-
CCCCCOC(=O)CCC(=O)OCc1cccc(C)c
1 - Molecular Weight1
- 292.37
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8416 | Relay (1.0) Calculated Property | |
| ΔfG° | -425.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.552 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1569.72 | kPa | Joback Calculated Property |
| Inp | [2134.00; 2134.00] |
|
|
| Inp | 2134.00 | NIST | |
| Inp | 2134.00 | NIST | |
| Tboil | 610.42 | K | Relay (1.0) Calculated Property |
| Tc | 806.75 | K | Relay (1.0) Calculated Property |
| Tfus | 258.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.906 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [692.65; 772.09] | J/mol×K | [736.66; 932.74] |
|
| Cp,gas | 692.65 | J/mol×K | 736.66 | Joback Calculated Property |
| Cp,gas | 708.49 | J/mol×K | 769.34 | Joback Calculated Property |
| Cp,gas | 723.27 | J/mol×K | 802.02 | Joback Calculated Property |
| Cp,gas | 737.00 | J/mol×K | 834.70 | Joback Calculated Property |
| Cp,gas | 749.70 | J/mol×K | 867.38 | Joback Calculated Property |
| Cp,gas | 761.39 | J/mol×K | 900.06 | Joback Calculated Property |
| Cp,gas | 772.09 | J/mol×K | 932.74 | Joback Calculated Property |
| η | [0.0000649; 0.0012675] | Pa×s | [404.95; 736.66] |
|
| η | 0.0012675 | Pa×s | 404.95 | Joback Calculated Property |
| η | 0.0005736 | Pa×s | 460.24 | Joback Calculated Property |
| η | 0.0003077 | Pa×s | 515.52 | Joback Calculated Property |
| η | 0.0001862 | Pa×s | 570.81 | Joback Calculated Property |
| η | 0.0001232 | Pa×s | 626.09 | Joback Calculated Property |
| η | 0.0000871 | Pa×s | 681.38 | Joback Calculated Property |
| η | 0.0000649 | Pa×s | 736.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbenzyl pentyl ester.
Sources
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