- InChI
- InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2
- InChI Key
- IMNFDUFMRHMDMM-NEBSKJCTSA-N
- Formula
- C7D16
- SMILES
- CCCCCCC
- Molecular Weight1
- 116.30
- Other Names
-
- perdeuteroheptane
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 8.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -187.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.18 | kJ/mol | Joback Calculated Property |
| log10WS | -2.75 | Crippen Calculated Property | |
| logPoct/wat | 2.977 | Crippen Calculated Property | |
| McVol | 109.490 | ml/mol | McGowan Calculated Property |
| Pc | 2799.47 | kPa | Joback Calculated Property |
| Inp | [688.69; 688.69] |
|
|
| Inp | 688.69 | NIST | |
| Inp | 688.69 | NIST | |
| Tboil | 359.56 | K | Joback Calculated Property |
| Tc | 523.11 | K | Joback Calculated Property |
| Tfus | 168.65 | K | Joback Calculated Property |
| Vc | 0.427 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.21; 259.03] | J/mol×K | [359.56; 523.11] |
|
| Cp,gas | 194.21 | J/mol×K | 359.56 | Joback Calculated Property |
| Cp,gas | 206.00 | J/mol×K | 386.82 | Joback Calculated Property |
| Cp,gas | 217.38 | J/mol×K | 414.08 | Joback Calculated Property |
| Cp,gas | 228.37 | J/mol×K | 441.34 | Joback Calculated Property |
| Cp,gas | 238.97 | J/mol×K | 468.59 | Joback Calculated Property |
| Cp,gas | 249.19 | J/mol×K | 495.85 | Joback Calculated Property |
| Cp,gas | 259.03 | J/mol×K | 523.11 | Joback Calculated Property |
| η | [0.0002409; 0.0050984] | Pa×s | [168.65; 359.56] |
|
| η | 0.0050984 | Pa×s | 168.65 | Joback Calculated Property |
| η | 0.0020471 | Pa×s | 200.47 | Joback Calculated Property |
| η | 0.0010554 | Pa×s | 232.29 | Joback Calculated Property |
| η | 0.0006383 | Pa×s | 264.11 | Joback Calculated Property |
| η | 0.0004301 | Pa×s | 295.92 | Joback Calculated Property |
| η | 0.0003129 | Pa×s | 327.74 | Joback Calculated Property |
| η | 0.0002409 | Pa×s | 359.56 | Joback Calculated Property |
| ΔvapH | 35.80 | kJ/mol | 298.00 | Enthalp... |
Similar Compounds
Find more compounds similar to Heptane-d16.
Sources
- Crippen Method
- Crippen Method
- Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects
- Joback Method
- McGowan Method
- NIST Webbook
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