- InChI
- InChI=1S/C25H36O4/c1-24(2)18-10-8-16(20(24)12-18)14-28-22(26)6-5-7-23(27)29-15-17-9-11-19-13-21(17)25(19,3)4/h8-9,18-21H,5-7,10-15H2,1-4H3
- InChI Key
- IPAYWXFLWLCLLO-UHFFFAOYSA-N
- Formula
- C25H36O4
- SMILES
-
CC1(C)C2CC=C(COC(=O)CCCC(=O)OC
C3=CCC4CC3C4(C)C)C1C2 - Molecular Weight1
- 400.55
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.7650 | Relay (1.0) Calculated Property | |
| ΔfG° | -75.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -828.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.228 | Crippen Calculated Property | |
| McVol | 325.950 | ml/mol | McGowan Calculated Property |
| Pc | 1197.30 | kPa | Joback Calculated Property |
| Inp | [2842.00; 2842.00] |
|
|
| Inp | 2842.00 | NIST | |
| Inp | 2842.00 | NIST | |
| Tboil | 661.71 | K | Relay (1.0) Calculated Property |
| Tc | 954.38 | K | Relay (1.0) Calculated Property |
| Tfus | 413.28 | K | Relay (1.0) Calculated Property |
| Vc | 1.207 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1175.84; 1359.18] | J/mol×K | [958.90; 1183.19] |
|
| Cp,gas | 1175.84 | J/mol×K | 958.90 | Joback Calculated Property |
| Cp,gas | 1203.18 | J/mol×K | 996.28 | Joback Calculated Property |
| Cp,gas | 1231.39 | J/mol×K | 1033.66 | Joback Calculated Property |
| Cp,gas | 1260.79 | J/mol×K | 1071.04 | Joback Calculated Property |
| Cp,gas | 1291.68 | J/mol×K | 1108.42 | Joback Calculated Property |
| Cp,gas | 1324.37 | J/mol×K | 1145.81 | Joback Calculated Property |
| Cp,gas | 1359.18 | J/mol×K | 1183.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(myrtenyl) ester.
Sources
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