- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.86; 949.38] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.10000e-02 | |||
| Coefficient B | 1.72124e+00 | |||
| Coefficient C | -9.09400e-04 | |||
| Coefficient D | 1.37600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 404.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 501.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 587.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 664.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 731.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 791.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 841.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 884.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 920.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 949.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014177; 0.0000681] | Pa×s | [411.24; 697.04] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.39615e+01 | |||
| Coefficient B | 3.04432e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 411.24 | |||
| Temperature range, max. | 697.04 | |||
| η | 0.0014177 | Pa×s | 411.24 | Calculated Property |
| η | 0.0008339 | Pa×s | 443.00 | Calculated Property |
| η | 0.0005266 | Pa×s | 474.75 | Calculated Property |
| η | 0.0003523 | Pa×s | 506.51 | Calculated Property |
| η | 0.0002471 | Pa×s | 538.26 | Calculated Property |
| η | 0.0001803 | Pa×s | 570.02 | Calculated Property |
| η | 0.0001360 | Pa×s | 601.77 | Calculated Property |
| η | 0.0001056 | Pa×s | 633.53 | Calculated Property |
| η | 0.0000839 | Pa×s | 665.28 | Calculated Property |
| η | 0.0000681 | Pa×s | 697.04 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 3-phenylpropyl ester.
Sources
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