- InChI
- InChI=1S/C18H34O4/c1-5-6-7-8-14-21-17(19)12-13-18(20)22-16(4)11-9-10-15(2)3/h15-16H,5-14H2,1-4H3
- InChI Key
- HBKUXVDYXDEAAB-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CCCCCCOC(=O)CCC(=O)OC(C)CCCC(C
)C - Molecular Weight1
- 314.47
- 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 | 0.8909 | Relay (1.0) Calculated Property | |
| ΔfG° | -524.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1059.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.648 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1172.83 | kPa | Joback Calculated Property |
| Inp | [2020.00; 2020.00] |
|
|
| Inp | 2020.00 | NIST | |
| Inp | 2020.00 | NIST | |
| Tboil | 582.48 | K | Relay (1.0) Calculated Property |
| Tc | 754.43 | K | Relay (1.0) Calculated Property |
| Tfus | 248.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.063 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.38; 965.26] | 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 | 3.39800e+01 | |||
| Coefficient B | 1.61608e+00 | |||
| Coefficient C | -7.72600e-04 | |||
| Coefficient D | 8.78000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 419.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 512.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 597.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 673.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 741.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 801.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 853.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 897.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 934.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 965.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035581; 0.0000870] | Pa×s | [347.28; 632.08] |
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 | -1.38751e+01 | |||
| Coefficient B | 2.86040e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 347.28 | |||
| Temperature range, max. | 632.08 | |||
| η | 0.0035581 | Pa×s | 347.28 | Calculated Property |
| η | 0.0017885 | Pa×s | 378.92 | Calculated Property |
| η | 0.0009996 | Pa×s | 410.57 | Calculated Property |
| η | 0.0006071 | Pa×s | 442.21 | Calculated Property |
| η | 0.0003942 | Pa×s | 473.86 | Calculated Property |
| η | 0.0002701 | Pa×s | 505.50 | Calculated Property |
| η | 0.0001936 | Pa×s | 537.15 | Calculated Property |
| η | 0.0001439 | Pa×s | 568.79 | Calculated Property |
| η | 0.0001104 | Pa×s | 600.43 | Calculated Property |
| η | 0.0000870 | Pa×s | 632.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hexyl 6-methylhept-2-yl ester.
Sources
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