- InChI
- InChI=1S/C5H10O3/c1-5-2-6-3-7-4-8-5/h5H,2-4H2,1H3
- InChI Key
- UZLVVHHXLVCCDM-UHFFFAOYSA-N
- Formula
- C5H10O3
- SMILES
- CC1COCOCO1
- Molecular Weight1
- 118.13
- 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 | 0.2952 | Relay (1.0) Calculated Property | |
| ΔfG° | -254.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -509.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.353 | Crippen Calculated Property | |
| McVol | 88.060 | ml/mol | McGowan Calculated Property |
| Pc | 4474.22 | kPa | Joback Calculated Property |
| Inp | [812.00; 820.00] |
|
|
| Inp | 812.00 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | 820.00 | NIST | |
| Tboil | 416.32 | K | Relay (1.0) Calculated Property |
| Tc | 600.84 | K | Relay (1.0) Calculated Property |
| Tfus | 242.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.327 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.62; 322.70] | 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 | -2.04200e+01 | |||
| Coefficient B | 5.82320e-01 | |||
| Coefficient C | -2.41100e-04 | |||
| Coefficient D | 1.90000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 120.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 155.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 187.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 215.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 241.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 263.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 283.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 299.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 312.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 322.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0133475; 0.0003027] | Pa×s | [229.68; 444.48] |
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 | -1.21512e+01 | |||
| Coefficient B | 1.79949e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 229.68 | |||
| Temperature range, max. | 444.48 | |||
| η | 0.0133475 | Pa×s | 229.68 | Calculated Property |
| η | 0.0063843 | Pa×s | 253.55 | Calculated Property |
| η | 0.0034668 | Pa×s | 277.41 | Calculated Property |
| η | 0.0020738 | Pa×s | 301.28 | Calculated Property |
| η | 0.0013377 | Pa×s | 325.15 | Calculated Property |
| η | 0.0009162 | Pa×s | 349.01 | Calculated Property |
| η | 0.0006587 | Pa×s | 372.88 | Calculated Property |
| η | 0.0004927 | Pa×s | 396.74 | Calculated Property |
| η | 0.0003809 | Pa×s | 420.61 | Calculated Property |
| η | 0.0003027 | Pa×s | 444.48 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,7-Trioxepane, 6-methyl.
Sources
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