- InChI
- InChI=1S/C13H18O4/c1-6-8-5-13(2,3)9-4-7(8)10(11(14)16-6)12(15)17-9/h6-10H,4-5H2,1-3H3
- InChI Key
- FSZHUBKZXLBHGH-UHFFFAOYSA-N
- Formula
- C13H18O4
- SMILES
-
CC1OC(=O)C2C(=O)OC3CC2C1CC3(C)
C - Molecular Weight1
- 238.28
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -241.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -696.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.22 | kJ/mol | Joback Calculated Property |
| log10WS | -1.93 | Crippen Calculated Property | |
| logPoct/wat | 1.526 | Crippen Calculated Property | |
| McVol | 176.330 | ml/mol | McGowan Calculated Property |
| Pc | 2492.52 | kPa | Joback Calculated Property |
| Tboil | 705.64 | K | Joback Calculated Property |
| Tc | 954.61 | K | Joback Calculated Property |
| Tfus | 480.29 | K | Joback Calculated Property |
| Vc | 0.661 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.26; 681.40] | J/mol×K | [705.64; 954.61] | 
|
| Cp,gas | 569.26 | J/mol×K | 705.64 | Joback Calculated Property |
| Cp,gas | 590.37 | J/mol×K | 747.14 | Joback Calculated Property |
| Cp,gas | 610.33 | J/mol×K | 788.63 | Joback Calculated Property |
| Cp,gas | 629.27 | J/mol×K | 830.13 | Joback Calculated Property |
| Cp,gas | 647.34 | J/mol×K | 871.62 | Joback Calculated Property |
| Cp,gas | 664.67 | J/mol×K | 913.12 | Joback Calculated Property |
| Cp,gas | 681.40 | J/mol×K | 954.61 | Joback Calculated Property |
Similar Compounds
Sources
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