- InChI
- InChI=1S/C9H14O5/c1-9(2,3)14-13-8(11)6-5-7(10)12-4/h5-6H,1-4H3/b6-5+
- InChI Key
- WVSJZOKBOUVTBA-AATRIKPKSA-N
- Formula
- C9H14O5
- SMILES
- COC(=O)C=CC(=O)OOC(C)(C)C
- Molecular Weight1
- 202.20
- CAS
- 52345-49-0
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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 | 0.6422 | Relay (1.0) Calculated Property | |
| ΔfG° | -464.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -732.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -747.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 18.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.989 | Crippen Calculated Property | |
| McVol | 154.120 | ml/mol | McGowan Calculated Property |
| Pc | 2668.02 | kPa | Joback Calculated Property |
| Tboil | 489.10 | K | Relay (1.0) Calculated Property |
| Tc | 648.44 | K | Relay (1.0) Calculated Property |
| Tfus | 350.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.577 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [376.32; 441.27] | J/mol×K | [581.25; 779.77] | 
|
| Cp,gas | 376.32 | J/mol×K | 581.25 | Joback Calculated Property |
| Cp,gas | 388.72 | J/mol×K | 614.34 | Joback Calculated Property |
| Cp,gas | 400.47 | J/mol×K | 647.42 | Joback Calculated Property |
| Cp,gas | 411.60 | J/mol×K | 680.51 | Joback Calculated Property |
| Cp,gas | 422.10 | J/mol×K | 713.60 | Joback Calculated Property |
| Cp,gas | 431.99 | J/mol×K | 746.68 | Joback Calculated Property |
| Cp,gas | 441.27 | J/mol×K | 779.77 | Joback Calculated Property |
| η | [0.0001283; 0.0014824] | Pa×s | [355.08; 581.25] |
|
| η | 0.0014824 | Pa×s | 355.08 | Joback Calculated Property |
| η | 0.0008106 | Pa×s | 392.78 | Joback Calculated Property |
| η | 0.0004927 | Pa×s | 430.47 | Joback Calculated Property |
| η | 0.0003245 | Pa×s | 468.17 | Joback Calculated Property |
| η | 0.0002274 | Pa×s | 505.86 | Joback Calculated Property |
| η | 0.0001674 | Pa×s | 543.56 | Joback Calculated Property |
| η | 0.0001283 | Pa×s | 581.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oo-tert-butyl o-methylperfumarate.
Sources
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