- InChI
- InChI=1S/C18H32O4/c1-3-5-7-8-9-10-11-16-22-18(20)14-12-13-17(19)21-15-6-4-2/h9-10H,3-8,11-16H2,1-2H3/b10-9-
- InChI Key
- JVVAQZRRJUMETA-KTKRTIGZSA-N
- Formula
- C18H32O4
- SMILES
- CCCCCC=CCCOC(=O)CCCC(=O)OCCCC
- Molecular Weight1
- 312.44
- 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 | 0.8884 | Relay (1.0) Calculated Property | |
| ΔfG° | -439.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -959.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.570 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Pc | 1202.29 | kPa | Joback Calculated Property |
| Inp | [2186.00; 2186.00] |
|
|
| Inp | 2186.00 | NIST | |
| Inp | 2186.00 | NIST | |
| Tboil | 603.20 | K | Relay (1.0) Calculated Property |
| Tc | 771.01 | K | Relay (1.0) Calculated Property |
| Tfus | 233.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.037 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [406.00; 933.60] | 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 | 2.31620e+01 | |||
| Coefficient B | 1.62424e+00 | |||
| Coefficient C | -8.50000e-04 | |||
| Coefficient D | 1.36200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 406.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 497.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 579.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 653.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 718.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 775.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 825.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 867.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 903.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 933.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018706; 0.0000862] | Pa×s | [372.20; 636.02] |
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 | -1.36996e+01 | |||
| Coefficient B | 2.76100e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 372.20 | |||
| Temperature range, max. | 636.02 | |||
| η | 0.0018706 | Pa×s | 372.20 | Calculated Property |
| η | 0.0010884 | Pa×s | 401.51 | Calculated Property |
| η | 0.0006817 | Pa×s | 430.83 | Calculated Property |
| η | 0.0004532 | Pa×s | 460.14 | Calculated Property |
| η | 0.0003164 | Pa×s | 489.45 | Calculated Property |
| η | 0.0002300 | Pa×s | 518.77 | Calculated Property |
| η | 0.0001730 | Pa×s | 548.08 | Calculated Property |
| η | 0.0001340 | Pa×s | 577.40 | Calculated Property |
| η | 0.0001064 | Pa×s | 606.71 | Calculated Property |
| η | 0.0000862 | Pa×s | 636.02 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutraic acid, butyl cis-non-3-enyl ester.
Sources
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