- InChI
- InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3
- InChI Key
- CAQYAZNFWDDMIT-UHFFFAOYSA-N
- Formula
- C5H12O2
- SMILES
- CCOCCOC
- Molecular Weight1
- 104.15
- CAS
- 500005-27-6
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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 | 0.3780 | Relay (1.0) Calculated Property | |
| ΔfG° | -218.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -390.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.669 | Crippen Calculated Property | |
| McVol | 93.050 | ml/mol | McGowan Calculated Property |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| Tboil | 375.60 | K | Relay (1.0) Calculated Property |
| Tc | 544.14 | K | Relay (1.0) Calculated Property |
| Tfus | 192.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 224.70 | J/mol×K | 298.15 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.36; 314.28] | 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 | 4.93430e+01 | |||
| Coefficient B | 3.52440e-01 | |||
| Coefficient C | -2.62000e-05 | |||
| Coefficient D | -6.13000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 142.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 192.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 215.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 237.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 256.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 274.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 290.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 303.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 314.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025228; 0.0001898] | Pa×s | [190.57; 367.07] |
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 | -1.13632e+01 | |||
| Coefficient B | 1.02542e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 190.57 | |||
| Temperature range, max. | 367.07 | |||
| η | 0.0025228 | Pa×s | 190.57 | Calculated Property |
| η | 0.0015270 | Pa×s | 210.18 | Calculated Property |
| η | 0.0010070 | Pa×s | 229.79 | Calculated Property |
| η | 0.0007090 | Pa×s | 249.40 | Calculated Property |
| η | 0.0005254 | Pa×s | 269.01 | Calculated Property |
| η | 0.0004055 | Pa×s | 288.62 | Calculated Property |
| η | 0.0003235 | Pa×s | 308.23 | Calculated Property |
| η | 0.0002651 | Pa×s | 327.85 | Calculated Property |
| η | 0.0002222 | Pa×s | 347.46 | Calculated Property |
| η | 0.0001898 | Pa×s | 367.07 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dioxaheptane.
Sources
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