- InChI
- InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3/i1D3
- InChI Key
- IMNFDUFMRHMDMM-FIBGUPNXSA-N
- Formula
- C7H13D3
- SMILES
- CCCCCCC
- Molecular Weight1
- 103.22
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3716 | Relay (1.0) Calculated Property | |
| ΔfG° | 8.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.70 | Relay (1.0) 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 | 697.76 | NIST | |
| Tboil | 379.34 | K | Relay (1.0) Calculated Property |
| Tc | 546.79 | K | Relay (1.0) Calculated Property |
| Tfus | 193.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.443 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [153.98; 380.46] | 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 | -3.47500e+00 | |||
| Coefficient B | 6.68840e-01 | |||
| Coefficient C | -3.57000e-04 | |||
| Coefficient D | 7.21000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 153.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 191.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 225.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 256.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 283.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 308.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 329.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 348.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 365.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 380.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0050984; 0.0002291] | Pa×s | [168.65; 366.38] |
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 | -1.10278e+01 | |||
| Coefficient B | 9.69560e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 168.65 | |||
| Temperature range, max. | 366.38 | |||
| η | 0.0050984 | Pa×s | 168.65 | Calculated Property |
| η | 0.0026283 | Pa×s | 190.62 | Calculated Property |
| η | 0.0015538 | Pa×s | 212.59 | Calculated Property |
| η | 0.0010136 | Pa×s | 234.56 | Calculated Property |
| η | 0.0007114 | Pa×s | 256.53 | Calculated Property |
| η | 0.0005280 | Pa×s | 278.50 | Calculated Property |
| η | 0.0004093 | Pa×s | 300.47 | Calculated Property |
| η | 0.0003285 | Pa×s | 322.44 | Calculated Property |
| η | 0.0002712 | Pa×s | 344.41 | Calculated Property |
| η | 0.0002291 | Pa×s | 366.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane-1-d3.
Sources
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