- InChI
- InChI=1S/C18H26O5/c1-2-3-7-12-22-17(19)14-21-15-18(20)23-13-8-11-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3
- InChI Key
- FRZBDHRIYPBUPL-UHFFFAOYSA-N
- Formula
- C18H26O5
- SMILES
-
CCCCCOC(=O)COCC(=O)OCCCc1ccccc
1 - Molecular Weight1
- 322.40
- 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 | 0.9314 | Relay (1.0) Calculated Property | |
| ΔfG° | -512.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -900.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.912 | Crippen Calculated Property | |
| McVol | 261.470 | ml/mol | McGowan Calculated Property |
| Pc | 1454.57 | kPa | Joback Calculated Property |
| Inp | [3011.00; 3011.00] |
|
|
| Inp | 3011.00 | NIST | |
| Inp | 3011.00 | NIST | |
| Tboil | 649.29 | K | Relay (1.0) Calculated Property |
| Tc | 828.94 | K | Relay (1.0) Calculated Property |
| Tfus | 275.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.978 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.15; 864.16] | 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 | 2.89390e+01 | |||
| Coefficient B | 1.46212e+00 | |||
| Coefficient C | -6.86400e-04 | |||
| Coefficient D | 5.95000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 378.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 462.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 539.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 608.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 669.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 722.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 768.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 807.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 839.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 864.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009596; 0.0000728] | Pa×s | [425.93; 679.94] |
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 | -1.38522e+01 | |||
| Coefficient B | 2.94027e+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. | 425.93 | |||
| Temperature range, max. | 679.94 | |||
| η | 0.0009596 | Pa×s | 425.93 | Calculated Property |
| η | 0.0006248 | Pa×s | 454.15 | Calculated Property |
| η | 0.0004278 | Pa×s | 482.38 | Calculated Property |
| η | 0.0003054 | Pa×s | 510.60 | Calculated Property |
| η | 0.0002259 | Pa×s | 538.82 | Calculated Property |
| η | 0.0001722 | Pa×s | 567.05 | Calculated Property |
| η | 0.0001347 | Pa×s | 595.27 | Calculated Property |
| η | 0.0001077 | Pa×s | 623.49 | Calculated Property |
| η | 0.0000878 | Pa×s | 651.71 | Calculated Property |
| η | 0.0000728 | Pa×s | 679.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, pentyl 3-phenylpropyl ester.
Sources
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