- InChI
- InChI=1S/C17H32O4/c1-6-7-8-9-14(4)20-16(18)10-11-17(19)21-15(5)12-13(2)3/h13-15H,6-12H2,1-5H3
- InChI Key
- NDLJDRCIQXGIOQ-UHFFFAOYSA-N
- Formula
- C17H32O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)OC(C)CC(
C)C - Molecular Weight1
- 300.43
- 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 | 0.8145 | Relay (1.0) Calculated Property | |
| ΔfG° | -535.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1060.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.256 | Crippen Calculated Property | |
| McVol | 265.270 | ml/mol | McGowan Calculated Property |
| Pc | 1261.06 | kPa | Joback Calculated Property |
| Inp | [1809.00; 1809.00] |
|
|
| Inp | 1809.00 | NIST | |
| Inp | 1809.00 | NIST | |
| Tboil | 556.61 | K | Relay (1.0) Calculated Property |
| Tc | 734.39 | K | Relay (1.0) Calculated Property |
| Tfus | 241.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.006 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.85; 914.21] | 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 | 3.32070e+01 | |||
| Coefficient B | 1.52700e+00 | |||
| Coefficient C | -7.21400e-04 | |||
| Coefficient D | 7.54000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 397.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 486.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 566.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 638.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 703.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 759.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 808.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 850.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 885.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 914.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0059722; 0.0000906] | Pa×s | [321.01; 616.67] |
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 | -1.38558e+01 | |||
| Coefficient B | 2.80406e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 321.01 | |||
| Temperature range, max. | 616.67 | |||
| η | 0.0059722 | Pa×s | 321.01 | Calculated Property |
| η | 0.0026543 | Pa×s | 353.86 | Calculated Property |
| η | 0.0013540 | Pa×s | 386.71 | Calculated Property |
| η | 0.0007674 | Pa×s | 419.56 | Calculated Property |
| η | 0.0004724 | Pa×s | 452.41 | Calculated Property |
| η | 0.0003105 | Pa×s | 485.26 | Calculated Property |
| η | 0.0002152 | Pa×s | 518.12 | Calculated Property |
| η | 0.0001559 | Pa×s | 550.97 | Calculated Property |
| η | 0.0001171 | Pa×s | 583.82 | Calculated Property |
| η | 0.0000906 | Pa×s | 616.67 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 4-methylpent-2-yl ester.
Sources
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