- InChI
- InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,9-12H2,1-2H3
- InChI Key
- SLQXYOMUNKJHRV-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CCC#CCCCCC#CCC
- Molecular Weight1
- 162.27
- CAS
- 61827-89-2
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 455.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 253.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.43 | Crippen Calculated Property | |
| logPoct/wat | 3.374 | Crippen Calculated Property | |
| McVol | 162.740 | ml/mol | McGowan Calculated Property |
| Pc | 2379.54 | kPa | Joback Calculated Property |
| Tboil | 491.96 | K | Joback Calculated Property |
| Tc | 696.84 | K | Joback Calculated Property |
| Tfus | 437.20 | K | Joback Calculated Property |
| Vc | 0.631 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.46; 429.75] | J/mol×K | [491.96; 696.84] | 
|
| Cp,gas | 345.46 | J/mol×K | 491.96 | Joback Calculated Property |
| Cp,gas | 361.21 | J/mol×K | 526.11 | Joback Calculated Property |
| Cp,gas | 376.24 | J/mol×K | 560.25 | Joback Calculated Property |
| Cp,gas | 390.60 | J/mol×K | 594.40 | Joback Calculated Property |
| Cp,gas | 404.28 | J/mol×K | 628.55 | Joback Calculated Property |
| Cp,gas | 417.33 | J/mol×K | 662.70 | Joback Calculated Property |
| Cp,gas | 429.75 | J/mol×K | 696.84 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 329.60 | K | 0.07 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [371.41; 548.10] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37370e+01 | |||
| Coefficient B | -3.98550e+03 | |||
| Coefficient C | -7.50810e+01 | |||
| Temperature range, min. | 371.41 | |||
| Temperature range, max. | 548.10 | |||
| Pvap | 1.33 | kPa | 371.41 | Calculated Property |
| Pvap | 3.07 | kPa | 391.04 | Calculated Property |
| Pvap | 6.43 | kPa | 410.67 | Calculated Property |
| Pvap | 12.40 | kPa | 430.31 | Calculated Property |
| Pvap | 22.31 | kPa | 449.94 | Calculated Property |
| Pvap | 37.87 | kPa | 469.57 | Calculated Property |
| Pvap | 61.13 | kPa | 489.20 | Calculated Property |
| Pvap | 94.51 | kPa | 508.84 | Calculated Property |
| Pvap | 140.69 | kPa | 528.47 | Calculated Property |
| Pvap | 202.63 | kPa | 548.10 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,9-Dodecadiyne.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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