- InChI
- InChI=1S/C10H20O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h10H,2-9H2,1H3
- InChI Key
- LWJBQKKNODYJEI-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CCCCCCCC1OCCO1
- Molecular Weight1
- 172.27
- Other Names
-
- 2-heptyl-1,3-dioxolane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.5151 | Relay (1.0) Calculated Property | |
| ΔfG° | -102.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.720 | Crippen Calculated Property | |
| McVol | 152.640 | ml/mol | McGowan Calculated Property |
| Pc | 2460.47 | kPa | Joback Calculated Property |
| Tboil | 485.72 | K | Relay (1.0) Calculated Property |
| Tc | 676.07 | K | Relay (1.0) Calculated Property |
| Tfus | 242.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.604 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 62.00 | kJ/mol | 385.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.11; 557.58] | 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 | -3.20440e+01 | |||
| Coefficient B | 1.07952e+00 | |||
| Coefficient C | -6.19800e-04 | |||
| Coefficient D | 1.29900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 219.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 278.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 330.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 377.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 418.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 454.98 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 486.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 513.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 537.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 557.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0057959; 0.0003888] | Pa×s | [266.50; 480.50] |
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 | -1.12169e+01 | |||
| Coefficient B | 1.61668e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 266.50 | |||
| Temperature range, max. | 480.50 | |||
| η | 0.0057959 | Pa×s | 266.50 | Calculated Property |
| η | 0.0035262 | Pa×s | 290.28 | Calculated Property |
| η | 0.0023130 | Pa×s | 314.06 | Calculated Property |
| η | 0.0016100 | Pa×s | 337.83 | Calculated Property |
| η | 0.0011753 | Pa×s | 361.61 | Calculated Property |
| η | 0.0008920 | Pa×s | 385.39 | Calculated Property |
| η | 0.0006990 | Pa×s | 409.17 | Calculated Property |
| η | 0.0005627 | Pa×s | 432.95 | Calculated Property |
| η | 0.0004633 | Pa×s | 456.73 | Calculated Property |
| η | 0.0003888 | Pa×s | 480.50 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-DIOXOLANE, 2-HEPTYL-.
Sources
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