- InChI
- InChI=1S/C16H28O4/c1-4-6-8-10-14(3)20-16(18)12-11-15(17)19-13-9-7-5-2/h7,9,14H,4-6,8,10-13H2,1-3H3/b9-7-
- InChI Key
- FRJKTXZPBVHCLD-CLFYSBASSA-N
- Formula
- C16H28O4
- SMILES
-
CC/C=C\COC(=O)CCC(=O)OC(C)CCCC
C - Molecular Weight1
- 284.40
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -907.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.32 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.788 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Inp | [1864.00; 1864.00] |
|
|
| Inp | 1864.00 | NIST | |
| Inp | 1864.00 | NIST | |
| Tboil | 558.53 | K | Relay (1.0) Calculated Property |
| Tc | 739.31 | K | Relay (1.0) Calculated Property |
| Tfus | 217.06 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [363.26; 830.96] | 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 | 2.32980e+01 | |||
| Coefficient B | 1.44016e+00 | |||
| Coefficient C | -7.44400e-04 | |||
| Coefficient D | 1.11900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 363.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 444.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 517.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 583.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 640.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 691.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 735.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 773.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 805.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 830.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032497; 0.0000999] | Pa×s | [334.66; 604.55] |
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 | -1.35296e+01 | |||
| Coefficient B | 2.61050e+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. | 334.66 | |||
| Temperature range, max. | 604.55 | |||
| η | 0.0032497 | Pa×s | 334.66 | Calculated Property |
| η | 0.0017110 | Pa×s | 364.65 | Calculated Property |
| η | 0.0009931 | Pa×s | 394.64 | Calculated Property |
| η | 0.0006225 | Pa×s | 424.62 | Calculated Property |
| η | 0.0004149 | Pa×s | 454.61 | Calculated Property |
| η | 0.0002909 | Pa×s | 484.60 | Calculated Property |
| η | 0.0002125 | Pa×s | 514.59 | Calculated Property |
| η | 0.0001607 | Pa×s | 544.57 | Calculated Property |
| η | 0.0001251 | Pa×s | 574.56 | Calculated Property |
| η | 0.0000999 | Pa×s | 604.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl cis-pent-2-en-1-yl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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