- InChI
- InChI=1S/C7H14O2/c1-5(2)7-8-4-6(3)9-7/h5-7H,4H2,1-3H3/t6-,7+/m0/s1
- InChI Key
- NWXXKKDLGZLEGH-NKWVEPMBSA-N
- Formula
- C7H14O2
- SMILES
- CC1COC(C(C)C)O1
- Molecular Weight1
- 130.18
- CAS
- 17226-63-0
- 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).
- 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 | 0.3419 | Relay (1.0) Calculated Property | |
| ΔfG° | -137.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -406.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.404 | Crippen Calculated Property | |
| McVol | 110.370 | ml/mol | McGowan Calculated Property |
| Pc | 3254.14 | kPa | Joback Calculated Property |
| Tboil | 414.30 | K | Relay (1.0) Calculated Property |
| Tc | 600.31 | K | Relay (1.0) Calculated Property |
| Tfus | 217.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [157.42; 410.00] | 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 | -2.50600e+01 | |||
| Coefficient B | 7.73960e-01 | |||
| Coefficient C | -4.04400e-04 | |||
| Coefficient D | 6.55000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 157.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 201.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 240.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 275.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 306.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 333.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 357.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 378.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 395.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 410.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053129; 0.0003606] | Pa×s | [213.45; 436.26] |
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 | -1.05050e+01 | |||
| Coefficient B | 1.12433e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 213.45 | |||
| Temperature range, max. | 436.26 | |||
| η | 0.0053129 | Pa×s | 213.45 | Calculated Property |
| η | 0.0030731 | Pa×s | 238.21 | Calculated Property |
| η | 0.0019706 | Pa×s | 262.96 | Calculated Property |
| η | 0.0013640 | Pa×s | 287.72 | Calculated Property |
| η | 0.0010008 | Pa×s | 312.48 | Calculated Property |
| η | 0.0007685 | Pa×s | 337.23 | Calculated Property |
| η | 0.0006118 | Pa×s | 361.99 | Calculated Property |
| η | 0.0005015 | Pa×s | 386.75 | Calculated Property |
| η | 0.0004210 | Pa×s | 411.50 | Calculated Property |
| η | 0.0003606 | Pa×s | 436.26 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-2-Isopropyl-4-methyl-1,3-dioxolane.
Sources
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