- InChI
- InChI=1S/C20H30O4/c1-3-4-6-10-17(2)24-20(22)15-14-19(21)23-16-9-13-18-11-7-5-8-12-18/h5,7-8,11-12,17H,3-4,6,9-10,13-16H2,1-2H3
- InChI Key
- QEEPFRZHKXEARD-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)OCCCc1cc
ccc1 - Molecular Weight1
- 334.45
- 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 | 0.9107 | Relay (1.0) Calculated Property | |
| ΔfG° | -393.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -839.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.455 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1285.59 | kPa | Joback Calculated Property |
| Inp | [2393.00; 2393.00] |
|
|
| Inp | 2393.00 | NIST | |
| Inp | 2393.00 | NIST | |
| Tboil | 633.49 | K | Relay (1.0) Calculated Property |
| Tc | 826.30 | K | Relay (1.0) Calculated Property |
| Tfus | 268.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.058 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [865.30; 948.04] | J/mol×K | [799.88; 995.77] |
|
| Cp,gas | 865.30 | J/mol×K | 799.88 | Joback Calculated Property |
| Cp,gas | 882.01 | J/mol×K | 832.53 | Joback Calculated Property |
| Cp,gas | 897.51 | J/mol×K | 865.18 | Joback Calculated Property |
| Cp,gas | 911.84 | J/mol×K | 897.82 | Joback Calculated Property |
| Cp,gas | 925.01 | J/mol×K | 930.47 | Joback Calculated Property |
| Cp,gas | 937.07 | J/mol×K | 963.12 | Joback Calculated Property |
| Cp,gas | 948.04 | J/mol×K | 995.77 | Joback Calculated Property |
| η | [0.0000389; 0.0014177] | Pa×s | [411.24; 799.88] |
|
| η | 0.0014177 | Pa×s | 411.24 | Joback Calculated Property |
| η | 0.0005177 | Pa×s | 476.01 | Joback Calculated Property |
| η | 0.0002407 | Pa×s | 540.79 | Joback Calculated Property |
| η | 0.0001318 | Pa×s | 605.56 | Joback Calculated Property |
| η | 0.0000811 | Pa×s | 670.33 | Joback Calculated Property |
| η | 0.0000543 | Pa×s | 735.11 | Joback Calculated Property |
| η | 0.0000389 | Pa×s | 799.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 3-phenylpropyl ester.
Sources
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