- InChI
- InChI=1S/C18H34O4/c1-4-5-6-7-10-14-21-17(19)11-8-9-12-18(20)22-15-13-16(2)3/h16H,4-15H2,1-3H3
- InChI Key
- RUWXCFUVXBMOFT-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
- CCCCCCCOC(=O)CCCCC(=O)OCCC(C)C
- Molecular Weight1
- 314.46
- 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 | 0.9417 | Relay (1.0) Calculated Property | |
| ΔfG° | -522.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1040.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.650 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1166.43 | kPa | Joback Calculated Property |
| Inp | [2108.00; 2108.00] |
|
|
| Inp | 2108.00 | NIST | |
| Inp | 2108.00 | NIST | |
| Tboil | 597.14 | K | Relay (1.0) Calculated Property |
| Tc | 762.85 | K | Relay (1.0) Calculated Property |
| Tfus | 245.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.078 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.69; 964.72] | 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 | 3.56620e+01 | |||
| Coefficient B | 1.61016e+00 | |||
| Coefficient C | -7.69400e-04 | |||
| Coefficient D | 8.83000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 419.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 512.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 597.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 673.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 740.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 800.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 852.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 896.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 934.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 964.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026059; 0.0000942] | Pa×s | [362.28; 631.27] |
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 | -1.37411e+01 | |||
| Coefficient B | 2.82258e+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. | 362.28 | |||
| Temperature range, max. | 631.27 | |||
| η | 0.0026059 | Pa×s | 362.28 | Calculated Property |
| η | 0.0014391 | Pa×s | 392.17 | Calculated Property |
| η | 0.0008645 | Pa×s | 422.05 | Calculated Property |
| η | 0.0005555 | Pa×s | 451.94 | Calculated Property |
| η | 0.0003771 | Pa×s | 481.83 | Calculated Property |
| η | 0.0002678 | Pa×s | 511.72 | Calculated Property |
| η | 0.0001975 | Pa×s | 541.60 | Calculated Property |
| η | 0.0001504 | Pa×s | 571.49 | Calculated Property |
| η | 0.0001177 | Pa×s | 601.38 | Calculated Property |
| η | 0.0000942 | Pa×s | 631.27 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, heptyl 3-methylbutyl ester.
Sources
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