- InChI
- InChI=1S/C17H30O4/c1-3-5-6-7-8-9-10-11-15-21-17(19)13-12-16(18)20-14-4-2/h8-9H,3-7,10-15H2,1-2H3/b9-8+
- InChI Key
- MIDVIBRETGJKOZ-CMDGGOBGSA-N
- Formula
- C17H30O4
- SMILES
- CCCCC/C=C/CCCOC(=O)CCC(=O)OCCC
- Molecular Weight1
- 298.42
- 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 | 0.8456 | Relay (1.0) Calculated Property | |
| ΔfG° | -448.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -913.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.180 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Pc | 1286.51 | kPa | Joback Calculated Property |
| Inp | [2031.00; 2031.00] |
|
|
| Inp | 2031.00 | NIST | |
| Inp | 2031.00 | NIST | |
| Tboil | 587.83 | K | Relay (1.0) Calculated Property |
| Tc | 760.76 | K | Relay (1.0) Calculated Property |
| Tfus | 248.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.979 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.79; 882.01] | 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 | 2.40710e+01 | |||
| Coefficient B | 1.52924e+00 | |||
| Coefficient C | -7.95600e-04 | |||
| Coefficient D | 1.24300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 384.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 471.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 548.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 617.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 679.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 733.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 780.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 820.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 854.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 882.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021171; 0.0000969] | Pa×s | [360.93; 619.48] |
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 | -1.35465e+01 | |||
| Coefficient B | 2.66684e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 360.93 | |||
| Temperature range, max. | 619.48 | |||
| η | 0.0021171 | Pa×s | 360.93 | Calculated Property |
| η | 0.0012279 | Pa×s | 389.66 | Calculated Property |
| η | 0.0007675 | Pa×s | 418.39 | Calculated Property |
| η | 0.0005096 | Pa×s | 447.11 | Calculated Property |
| η | 0.0003555 | Pa×s | 475.84 | Calculated Property |
| η | 0.0002584 | Pa×s | 504.57 | Calculated Property |
| η | 0.0001944 | Pa×s | 533.30 | Calculated Property |
| η | 0.0001505 | Pa×s | 562.03 | Calculated Property |
| η | 0.0001195 | Pa×s | 590.76 | Calculated Property |
| η | 0.0000969 | Pa×s | 619.48 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dec-4-enyl propyl ester.
Sources
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