- InChI
- InChI=1S/C18H26O4/c1-15(2)14-22-18(20)12-6-11-17(19)21-13-7-10-16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3
- InChI Key
- BFCYNWPDZPQZKK-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
CC(C)COC(=O)CCCC(=O)OCCCc1cccc
c1 - 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 | 0.8578 | Relay (1.0) Calculated Property | |
| ΔfG° | -257.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -794.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.532 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1580.97 | kPa | Joback Calculated Property |
| Inp | [2291.00; 2291.00] |
|
|
| Inp | 2291.00 | NIST | |
| Inp | 2291.00 | NIST | |
| Tboil | 634.76 | K | Relay (1.0) Calculated Property |
| Tc | 810.17 | K | Relay (1.0) Calculated Property |
| Tfus | 279.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.957 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [762.47; 842.38] | J/mol×K | [790.06; 991.28] |
|
| Cp,gas | 762.47 | J/mol×K | 790.06 | Joback Calculated Property |
| Cp,gas | 778.43 | J/mol×K | 823.60 | Joback Calculated Property |
| Cp,gas | 793.30 | J/mol×K | 857.13 | Joback Calculated Property |
| Cp,gas | 807.11 | J/mol×K | 890.67 | Joback Calculated Property |
| Cp,gas | 819.87 | J/mol×K | 924.21 | Joback Calculated Property |
| Cp,gas | 831.62 | J/mol×K | 957.74 | Joback Calculated Property |
| Cp,gas | 842.38 | J/mol×K | 991.28 | Joback Calculated Property |
| η | [0.0000657; 0.0009909] | Pa×s | [448.36; 790.06] |
|
| η | 0.0009909 | Pa×s | 448.36 | Joback Calculated Property |
| η | 0.0004886 | Pa×s | 505.31 | Joback Calculated Property |
| η | 0.0002780 | Pa×s | 562.26 | Joback Calculated Property |
| η | 0.0001755 | Pa×s | 619.21 | Joback Calculated Property |
| η | 0.0001197 | Pa×s | 676.16 | Joback Calculated Property |
| η | 0.0000866 | Pa×s | 733.11 | Joback Calculated Property |
| η | 0.0000657 | Pa×s | 790.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 3-phenylpropyl ester.
Sources
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