- InChI
- InChI=1S/C21H32O5/c1-2-3-4-5-6-7-11-15-25-20(22)17-24-18-21(23)26-16-14-19-12-9-8-10-13-19/h8-10,12-13H,2-7,11,14-18H2,1H3
- InChI Key
- UOHCEMQIRXMTGD-UHFFFAOYSA-N
- Formula
- C21H32O5
- SMILES
-
CCCCCCCCCOC(=O)COCC(=O)OCCc1cc
ccc1 - Molecular Weight1
- 364.48
- 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 | 1.0440 | Relay (1.0) Calculated Property | |
| ΔfG° | -487.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -956.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.083 | Crippen Calculated Property | |
| McVol | 303.740 | ml/mol | McGowan Calculated Property |
| Pc | 1180.90 | kPa | Joback Calculated Property |
| Inp | [3393.00; 3393.00] |
|
|
| Inp | 3393.00 | NIST | |
| Inp | 3393.00 | NIST | |
| Tboil | 666.92 | K | Relay (1.0) Calculated Property |
| Tc | 853.22 | K | Relay (1.0) Calculated Property |
| Tfus | 288.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.141 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [441.79; 1018.93] | 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 | 2.62120e+01 | |||
| Coefficient B | 1.74712e+00 | |||
| Coefficient C | -8.49600e-04 | |||
| Coefficient D | 9.52000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 441.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 542.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 632.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 713.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 785.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 849.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 903.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 949.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 988.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1018.93 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006644; 0.0000497] | Pa×s | [459.74; 729.49] |
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 | -1.43265e+01 | |||
| Coefficient B | 3.22275e+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. | 459.74 | |||
| Temperature range, max. | 729.49 | |||
| η | 0.0006644 | Pa×s | 459.74 | Calculated Property |
| η | 0.0004326 | Pa×s | 489.71 | Calculated Property |
| η | 0.0002960 | Pa×s | 519.68 | Calculated Property |
| η | 0.0002111 | Pa×s | 549.66 | Calculated Property |
| η | 0.0001559 | Pa×s | 579.63 | Calculated Property |
| η | 0.0001186 | Pa×s | 609.60 | Calculated Property |
| η | 0.0000926 | Pa×s | 639.57 | Calculated Property |
| η | 0.0000739 | Pa×s | 669.55 | Calculated Property |
| η | 0.0000601 | Pa×s | 699.52 | Calculated Property |
| η | 0.0000497 | Pa×s | 729.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, nonyl phenethyl ester.
Sources
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