- InChI
- InChI=1S/C3H6I2/c4-2-1-3-5/h1-3H2
- InChI Key
- AAAXMNYUNVCMCJ-UHFFFAOYSA-N
- Formula
- C3H6I2
- SMILES
- ICCCI
- Molecular Weight1
- 295.89
- CAS
- 627-31-6
- Other Names
-
- 1,3-Diiodopropane
- Trimethylene diiodide
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| ΔcH°liquid | -2029.10 ± 1.00 | kJ/mol | NIST |
| ΔfG° | 90.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [44.00; 45.20] | kJ/mol |
|
| ΔfH°gas | 45.20 ± 1.50 | kJ/mol | NIST |
| ΔfH°gas | 44.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -8.90 ± 1.40 | kJ/mol | NIST |
| ΔfusH° | 12.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [54.10; 54.10] | kJ/mol |
|
| ΔvapH° | 54.10 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 54.10 | kJ/mol | NIST |
| log10WS | -2.97 | Crippen Calculated Property | |
| logPoct/wat | 2.247 | Crippen Calculated Property | |
| McVol | 104.770 | ml/mol | McGowan Calculated Property |
| Pc | 4162.33 | kPa | Joback Calculated Property |
| Tboil | 454.32 | K | Joback Calculated Property |
| Tc | 702.31 | K | Joback Calculated Property |
| Tfus | 239.69 | K | Joback Calculated Property |
| Vc | 0.380 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.59; 168.22] | J/mol×K | [454.32; 702.31] |
|
| Cp,gas | 137.59 | J/mol×K | 454.32 | Joback Calculated Property |
| Cp,gas | 143.81 | J/mol×K | 495.65 | Joback Calculated Property |
| Cp,gas | 149.52 | J/mol×K | 536.98 | Joback Calculated Property |
| Cp,gas | 154.77 | J/mol×K | 578.31 | Joback Calculated Property |
| Cp,gas | 159.61 | J/mol×K | 619.64 | Joback Calculated Property |
| Cp,gas | 164.08 | J/mol×K | 660.98 | Joback Calculated Property |
| Cp,gas | 168.22 | J/mol×K | 702.31 | Joback Calculated Property |
| Cp,liquid | 169.20 | J/mol×K | 298.15 | NIST |
| η | [0.0004586; 0.0059900] | Pa×s | [239.69; 454.32] |
|
| η | 0.0059900 | Pa×s | 239.69 | Joback Calculated Property |
| η | 0.0029557 | Pa×s | 275.46 | Joback Calculated Property |
| η | 0.0017156 | Pa×s | 311.23 | Joback Calculated Property |
| η | 0.0011140 | Pa×s | 347.00 | Joback Calculated Property |
| η | 0.0007841 | Pa×s | 382.78 | Joback Calculated Property |
| η | 0.0005861 | Pa×s | 418.55 | Joback Calculated Property |
| η | 0.0004586 | Pa×s | 454.32 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 385.20 | K | 4.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [368.47; 553.28] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.18314e+01 | |||
| Coefficient B | -2.76877e+03 | |||
| Coefficient C | -1.28620e+02 | |||
| Temperature range, min. | 368.47 | |||
| Temperature range, max. | 553.28 | |||
| Pvap | 1.33 | kPa | 368.47 | Calculated Property |
| Pvap | 3.31 | kPa | 389.00 | Calculated Property |
| Pvap | 7.21 | kPa | 409.54 | Calculated Property |
| Pvap | 14.11 | kPa | 430.07 | Calculated Property |
| Pvap | 25.34 | kPa | 450.61 | Calculated Property |
| Pvap | 42.43 | kPa | 471.14 | Calculated Property |
| Pvap | 67.03 | kPa | 491.68 | Calculated Property |
| Pvap | 100.82 | kPa | 512.21 | Calculated Property |
| Pvap | 145.49 | kPa | 532.75 | Calculated Property |
| Pvap | 202.64 | kPa | 553.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,3-diiodo-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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