- InChI
- InChI=1S/C19H34O4/c1-3-5-7-8-9-13-17-23-19(21)15-11-10-14-18(20)22-16-12-6-4-2/h4H,2-3,5-17H2,1H3
- InChI Key
- WIIDOXDDVGKLRX-UHFFFAOYSA-N
- Formula
- C19H34O4
- SMILES
- C=CCCCOC(=O)CCCCC(=O)OCCCCCCCC
- Molecular Weight1
- 326.48
- 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 | 0.9692 | Relay (1.0) Calculated Property | |
| ΔfG° | -423.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -951.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.960 | Crippen Calculated Property | |
| McVol | 289.150 | ml/mol | McGowan Calculated Property |
| Pc | 1118.56 | kPa | Joback Calculated Property |
| Inp | [2235.00; 2235.00] |
|
|
| Inp | 2235.00 | NIST | |
| Inp | 2235.00 | NIST | |
| Tboil | 629.32 | K | Relay (1.0) Calculated Property |
| Tc | 782.61 | K | Relay (1.0) Calculated Property |
| Tfus | 264.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.095 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.41; 987.26] | 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 | 3.34440e+01 | |||
| Coefficient B | 1.67922e+00 | |||
| Coefficient C | -8.43500e-04 | |||
| Coefficient D | 1.18100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 431.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 527.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 613.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 690.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 759.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 820.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 872.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 918.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 956.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 987.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017346; 0.0000936] | Pa×s | [386.79; 646.05] |
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 | -1.36316e+01 | |||
| Coefficient B | 2.81376e+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. | 386.79 | |||
| Temperature range, max. | 646.05 | |||
| η | 0.0017346 | Pa×s | 386.79 | Calculated Property |
| η | 0.0010476 | Pa×s | 415.60 | Calculated Property |
| η | 0.0006755 | Pa×s | 444.40 | Calculated Property |
| η | 0.0004594 | Pa×s | 473.21 | Calculated Property |
| η | 0.0003266 | Pa×s | 502.02 | Calculated Property |
| η | 0.0002410 | Pa×s | 530.83 | Calculated Property |
| η | 0.0001834 | Pa×s | 559.63 | Calculated Property |
| η | 0.0001434 | Pa×s | 588.44 | Calculated Property |
| η | 0.0001147 | Pa×s | 617.25 | Calculated Property |
| η | 0.0000936 | Pa×s | 646.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, octyl pent-4-enyl ester.
Sources
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