- InChI
- InChI=1S/C16H30O4/c1-3-5-14-20-16(18)13-11-9-7-6-8-10-12-15(17)19-4-2/h3-14H2,1-2H3
- InChI Key
- DYJXUDRJZMSIJE-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
- CCCCOC(=O)CCCCCCCCC(=O)OCC
- Molecular Weight1
- 286.41
- 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 | 0.8971 | Relay (1.0) Calculated Property | |
| ΔfG° | -536.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -996.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.014 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 1328.10 | kPa | Joback Calculated Property |
| Inp | 1999.00 | NIST | |
| Tboil | 578.68 | K | Relay (1.0) Calculated Property |
| Tc | 748.72 | K | Relay (1.0) Calculated Property |
| Tfus | 259.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.983 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.58; 861.00] | 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 | 3.91620e+01 | |||
| Coefficient B | 1.41424e+00 | |||
| Coefficient C | -6.57400e-04 | |||
| Coefficient D | 6.50000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 377.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 460.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 534.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 602.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 662.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 715.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 761.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 801.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 834.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 861.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025205; 0.0001291] | Pa×s | [354.74; 597.18] |
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 | -1.33026e+01 | |||
| Coefficient B | 2.59644e+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. | 354.74 | |||
| Temperature range, max. | 597.18 | |||
| η | 0.0025205 | Pa×s | 354.74 | Calculated Property |
| η | 0.0015036 | Pa×s | 381.68 | Calculated Property |
| η | 0.0009602 | Pa×s | 408.62 | Calculated Property |
| η | 0.0006482 | Pa×s | 435.55 | Calculated Property |
| η | 0.0004581 | Pa×s | 462.49 | Calculated Property |
| η | 0.0003363 | Pa×s | 489.43 | Calculated Property |
| η | 0.0002550 | Pa×s | 516.37 | Calculated Property |
| η | 0.0001987 | Pa×s | 543.30 | Calculated Property |
| η | 0.0001586 | Pa×s | 570.24 | Calculated Property |
| η | 0.0001291 | Pa×s | 597.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, butyl ethyl ester.
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