- InChI
- InChI=1S/C18H26O4/c1-4-5-13-21-16(19)18(2,3)17(20)22-14-9-12-15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-14H2,1-3H3
- InChI Key
- IGLQCEOLMBDNKO-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
CCCCOC(=O)C(C)(C)C(=O)OCCCc1cc
ccc1 - Molecular Weight1
- 306.40
- 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 | 0.7815 | Relay (1.0) Calculated Property | |
| ΔfG° | -404.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -780.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.532 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1495.35 | kPa | Joback Calculated Property |
| Inp | [2041.00; 2041.00] |
|
|
| Inp | 2041.00 | NIST | |
| Inp | 2041.00 | NIST | |
| Tboil | 605.10 | K | Relay (1.0) Calculated Property |
| Tc | 809.31 | K | Relay (1.0) Calculated Property |
| Tfus | 256.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.29; 847.13] | 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 | -2.10340e+01 | |||
| Coefficient B | 1.65116e+00 | |||
| Coefficient C | -9.69200e-04 | |||
| Coefficient D | 1.86200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 361.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 450.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 528.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 597.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 658.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 710.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 754.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 791.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 822.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 847.13 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014744; 0.0000774] | Pa×s | [406.12; 667.10] |
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 | -1.40511e+01 | |||
| Coefficient B | 3.05872e+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. | 406.12 | |||
| Temperature range, max. | 667.10 | |||
| η | 0.0014744 | Pa×s | 406.12 | Calculated Property |
| η | 0.0008925 | Pa×s | 435.12 | Calculated Property |
| η | 0.0005753 | Pa×s | 464.12 | Calculated Property |
| η | 0.0003904 | Pa×s | 493.11 | Calculated Property |
| η | 0.0002767 | Pa×s | 522.11 | Calculated Property |
| η | 0.0002033 | Pa×s | 551.11 | Calculated Property |
| η | 0.0001540 | Pa×s | 580.11 | Calculated Property |
| η | 0.0001198 | Pa×s | 609.11 | Calculated Property |
| η | 0.0000954 | Pa×s | 638.11 | Calculated Property |
| η | 0.0000774 | Pa×s | 667.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, butyl 3-phenylpropyl ester.
Sources
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