- InChI
- InChI=1S/C19H34O4/c1-3-5-7-8-9-10-13-17-23-19(21)15-12-11-14-18(20)22-16-6-4-2/h9-10H,3-8,11-17H2,1-2H3/b10-9-
- InChI Key
- YCOFRKHNFQCAHF-KTKRTIGZSA-N
- Formula
- C19H34O4
- SMILES
- CCCCCC=CCCOC(=O)CCCCC(=O)OCCCC
- Molecular Weight1
- 326.47
- 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 | 0.9268 | Relay (1.0) Calculated Property | |
| ΔfG° | -431.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -980.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.960 | Crippen Calculated Property | |
| McVol | 289.150 | ml/mol | McGowan Calculated Property |
| Pc | 1126.08 | kPa | Joback Calculated Property |
| Inp | [2226.00; 2226.00] |
|
|
| Inp | 2226.00 | NIST | |
| Inp | 2226.00 | NIST | |
| Tboil | 607.29 | K | Relay (1.0) Calculated Property |
| Tc | 777.50 | K | Relay (1.0) Calculated Property |
| Tfus | 235.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.093 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [427.21; 985.19] | 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 | 2.22530e+01 | |||
| Coefficient B | 1.71924e+00 | |||
| Coefficient C | -9.04400e-04 | |||
| Coefficient D | 1.48100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 427.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 523.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 610.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 688.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 757.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 817.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 870.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 915.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 953.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 985.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016466; 0.0000762] | Pa×s | [383.47; 652.96] |
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 | -1.38546e+01 | |||
| Coefficient B | 2.85516e+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. | 383.47 | |||
| Temperature range, max. | 652.96 | |||
| η | 0.0016466 | Pa×s | 383.47 | Calculated Property |
| η | 0.0009602 | Pa×s | 413.41 | Calculated Property |
| η | 0.0006023 | Pa×s | 443.36 | Calculated Property |
| η | 0.0004007 | Pa×s | 473.30 | Calculated Property |
| η | 0.0002799 | Pa×s | 503.24 | Calculated Property |
| η | 0.0002035 | Pa×s | 533.19 | Calculated Property |
| η | 0.0001531 | Pa×s | 563.13 | Calculated Property |
| η | 0.0001185 | Pa×s | 593.07 | Calculated Property |
| η | 0.0000940 | Pa×s | 623.02 | Calculated Property |
| η | 0.0000762 | Pa×s | 652.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, butyl cis-non-3-enyl ester.
Sources
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