- InChI
- InChI=1S/C15H26O4/c1-3-5-9-13-19-15(17)11-8-7-10-14(16)18-12-6-4-2/h3H,1,4-13H2,2H3
- InChI Key
- NPCNERQMEQKTQO-UHFFFAOYSA-N
- Formula
- C15H26O4
- SMILES
- C=CCCCOC(=O)CCCCC(=O)OCCCC
- Molecular Weight1
- 270.36
- 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 | 0.8268 | Relay (1.0) Calculated Property | |
| ΔfG° | -457.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -873.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.399 | Crippen Calculated Property | |
| McVol | 232.790 | ml/mol | McGowan Calculated Property |
| Pc | 1472.49 | kPa | Joback Calculated Property |
| Inp | 1850.00 | NIST | |
| Tboil | 589.12 | K | Relay (1.0) Calculated Property |
| Tc | 743.26 | K | Relay (1.0) Calculated Property |
| Tfus | 239.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.878 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.55; 780.90] | 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 | 3.70800e+01 | |||
| Coefficient B | 1.29922e+00 | |||
| Coefficient C | -6.25900e-04 | |||
| Coefficient D | 7.05000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 346.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 421.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 489.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 550.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 604.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 651.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 692.82 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 727.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 757.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 780.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0027612; 0.0001473] | Pa×s | [341.71; 580.07] |
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 | -1.30242e+01 | |||
| Coefficient B | 2.43712e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 341.71 | |||
| Temperature range, max. | 580.07 | |||
| η | 0.0027612 | Pa×s | 341.71 | Calculated Property |
| η | 0.0016531 | Pa×s | 368.19 | Calculated Property |
| η | 0.0010602 | Pa×s | 394.68 | Calculated Property |
| η | 0.0007190 | Pa×s | 421.16 | Calculated Property |
| η | 0.0005106 | Pa×s | 447.65 | Calculated Property |
| η | 0.0003767 | Pa×s | 474.13 | Calculated Property |
| η | 0.0002870 | Pa×s | 500.62 | Calculated Property |
| η | 0.0002247 | Pa×s | 527.10 | Calculated Property |
| η | 0.0001801 | Pa×s | 553.59 | Calculated Property |
| η | 0.0001473 | Pa×s | 580.07 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, butyl pent-4-enyl ester.
Sources
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