- InChI
- InChI=1S/C14H30O/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-14H2,1-2H3
- InChI Key
- UJEGHEMJVNQWOJ-UHFFFAOYSA-N
- Formula
- C14H30O
- SMILES
- CCCCCCCOCCCCCCC
- Molecular Weight1
- 214.39
- CAS
- 629-64-1
- Other Names
-
- 1,1'-oxybisheptane
- 1-(Heptyloxy)heptane
- Bis(1-heptyl) ether
- Di-n-heptyl ether
- Diheptyl ether
- Ether, di-n-heptyl
- Ether, diheptyl
- Heptyl ether
- NSC 97274
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 | 0.7096 | Relay (1.0) Calculated Property | |
| ΔfG° | -38.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -462.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.944 | Crippen Calculated Property | |
| McVol | 213.990 | ml/mol | McGowan Calculated Property |
| Pc | 1503.48 | kPa | Joback Calculated Property |
| Inp | 1458.00 | NIST | |
| I | 1550.00 | NIST | |
| Tboil | 523.25 | K | Relay (1.0) Calculated Property |
| Tc | 695.38 | K | Relay (1.0) Calculated Property |
| Tfus | 245.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.843 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [536.33; 633.50] | J/mol×K | [542.14; 701.88] | 
|
| Cp,gas | 536.33 | J/mol×K | 542.14 | Joback Calculated Property |
| Cp,gas | 554.10 | J/mol×K | 568.76 | Joback Calculated Property |
| Cp,gas | 571.22 | J/mol×K | 595.39 | Joback Calculated Property |
| Cp,gas | 587.72 | J/mol×K | 622.01 | Joback Calculated Property |
| Cp,gas | 603.58 | J/mol×K | 648.63 | Joback Calculated Property |
| Cp,gas | 618.84 | J/mol×K | 675.26 | Joback Calculated Property |
| Cp,gas | 633.50 | J/mol×K | 701.88 | Joback Calculated Property |
| η | [0.0001482; 0.0038629] | Pa×s | [269.77; 542.14] |
|
| η | 0.0038629 | Pa×s | 269.77 | Joback Calculated Property |
| η | 0.0015169 | Pa×s | 315.16 | Joback Calculated Property |
| η | 0.0007537 | Pa×s | 360.56 | Joback Calculated Property |
| η | 0.0004379 | Pa×s | 405.95 | Joback Calculated Property |
| η | 0.0002838 | Pa×s | 451.35 | Joback Calculated Property |
| η | 0.0001991 | Pa×s | 496.75 | Joback Calculated Property |
| η | 0.0001482 | Pa×s | 542.14 | Joback Calculated Property |
| ΔvapH | 63.10 | kJ/mol | 453.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [408.52; 555.57] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.61961e+01 | |||
| Coefficient B | -5.06843e+03 | |||
| Coefficient C | -8.99220e+01 | |||
| Temperature range, min. | 408.52 | |||
| Temperature range, max. | 555.57 | |||
| Pvap | 1.33 | kPa | 408.52 | Calculated Property |
| Pvap | 2.90 | kPa | 424.86 | Calculated Property |
| Pvap | 5.86 | kPa | 441.20 | Calculated Property |
| Pvap | 11.12 | kPa | 457.54 | Calculated Property |
| Pvap | 20.00 | kPa | 473.88 | Calculated Property |
| Pvap | 34.27 | kPa | 490.21 | Calculated Property |
| Pvap | 56.31 | kPa | 506.55 | Calculated Property |
| Pvap | 89.12 | kPa | 522.89 | Calculated Property |
| Pvap | 136.41 | kPa | 539.23 | Calculated Property |
| Pvap | 202.65 | kPa | 555.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 1,1'-oxybis-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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