- InChI
- InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3
- InChI Key
- MQEMKUTWMALMCC-UHFFFAOYSA-N
- Formula
- C12H25NO2
- SMILES
- CCCCCCCCCCCC[N+](=O)[O-]
- Molecular Weight1
- 215.33
- CAS
- 16891-99-9
- Other Names
-
- Dodecane, 1-nitro-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 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° | 85.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.90 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 4.184 | Crippen Calculated Property | |
| McVol | 197.360 | ml/mol | McGowan Calculated Property |
| Pc | 1798.51 | kPa | Joback Calculated Property |
| Tboil | 625.80 | K | Joback Calculated Property |
| Tc | 812.93 | K | Joback Calculated Property |
| Tfus | 368.61 | K | Joback Calculated Property |
| Vc | 0.789 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [535.52; 621.94] | J/mol×K | [625.80; 812.93] | 
|
| Cp,gas | 535.52 | J/mol×K | 625.80 | Joback Calculated Property |
| Cp,gas | 551.82 | J/mol×K | 656.99 | Joback Calculated Property |
| Cp,gas | 567.33 | J/mol×K | 688.18 | Joback Calculated Property |
| Cp,gas | 582.06 | J/mol×K | 719.37 | Joback Calculated Property |
| Cp,gas | 596.06 | J/mol×K | 750.56 | Joback Calculated Property |
| Cp,gas | 609.34 | J/mol×K | 781.75 | Joback Calculated Property |
| Cp,gas | 621.94 | J/mol×K | 812.93 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [433.12; 614.78] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45334e+01 | |||
| Coefficient B | -4.75054e+03 | |||
| Coefficient C | -9.96520e+01 | |||
| Temperature range, min. | 433.12 | |||
| Temperature range, max. | 614.78 | |||
| Pvap | 1.33 | kPa | 433.12 | Calculated Property |
| Pvap | 3.01 | kPa | 453.30 | Calculated Property |
| Pvap | 6.21 | kPa | 473.49 | Calculated Property |
| Pvap | 11.90 | kPa | 493.67 | Calculated Property |
| Pvap | 21.42 | kPa | 513.86 | Calculated Property |
| Pvap | 36.50 | kPa | 534.04 | Calculated Property |
| Pvap | 59.32 | kPa | 554.23 | Calculated Property |
| Pvap | 92.50 | kPa | 574.41 | Calculated Property |
| Pvap | 139.11 | kPa | 594.60 | Calculated Property |
| Pvap | 202.63 | kPa | 614.78 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Nitrododecane.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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