- InChI
- InChI=1S/C13H28/c1-11(2,3)10(12(4,5)6)13(7,8)9/h10H,1-9H3
- InChI Key
- LVLOQIPOJWLAEB-UHFFFAOYSA-N
- Formula
- C13H28
- SMILES
- CC(C)(C)C(C(C)(C)C)C(C)(C)C
- Molecular Weight1
- 184.36
- CAS
- 35660-96-9
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid 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°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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 | 0.3672 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-8873.60; -8825.00] | kJ/mol |
|
| ΔcH°solid | -8825.00 ± 4.30 | kJ/mol | NIST |
| ΔcH°solid | -8873.60 ± 2.70 | kJ/mol | NIST |
| ΔfG° | 64.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-236.00; -235.20] | kJ/mol |
|
| ΔfH°gas | -235.20 ± 4.30 | kJ/mol | NIST |
| ΔfH°gas | -236.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | [-292.20; -244.00] | kJ/mol |
|
| ΔfH°solid | -292.20 ± 4.30 | kJ/mol | NIST |
| ΔfH°solid | -244.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 3.66 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [7.70; 57.03] | kJ/mol |
|
| ΔsubH° | 55.40 | kJ/mol | NIST |
| ΔsubH° | 57.03 ± 0.43 | kJ/mol | NIST |
| ΔsubH° | 57.00 | kJ/mol | NIST |
| ΔsubH° | 7.70 ± 0.08 | kJ/mol | NIST |
| ΔsubH° | 8.00 | kJ/mol | NIST |
| ΔvapH° | 49.65 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -5.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.741 | Crippen Calculated Property | |
| McVol | 194.030 | ml/mol | McGowan Calculated Property |
| Pc | 1734.67 | kPa | Joback Calculated Property |
| Tboil | 471.27 | K | Relay (1.0) Calculated Property |
| Tc | 657.04 | K | Relay (1.0) Calculated Property |
| Tfus | 256.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Ionization energy for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.31; 576.59] | J/mol×K | [486.91; 681.01] |
|
| Cp,gas | 462.31 | J/mol×K | 486.91 | Joback Calculated Property |
| Cp,gas | 484.48 | J/mol×K | 519.26 | Joback Calculated Property |
| Cp,gas | 505.30 | J/mol×K | 551.61 | Joback Calculated Property |
| Cp,gas | 524.85 | J/mol×K | 583.96 | Joback Calculated Property |
| Cp,gas | 543.20 | J/mol×K | 616.31 | Joback Calculated Property |
| Cp,gas | 560.43 | J/mol×K | 648.66 | Joback Calculated Property |
| Cp,gas | 576.59 | J/mol×K | 681.01 | Joback Calculated Property |
| Cp,solid | 354.80 | J/mol×K | 298.15 | NIST |
| η | [0.0001775; 0.0365097] | Pa×s | [228.53; 486.91] |
|
| η | 0.0365097 | Pa×s | 228.53 | Joback Calculated Property |
| η | 0.0074334 | Pa×s | 271.59 | Joback Calculated Property |
| η | 0.0023397 | Pa×s | 314.66 | Joback Calculated Property |
| η | 0.0009728 | Pa×s | 357.72 | Joback Calculated Property |
| η | 0.0004884 | Pa×s | 400.78 | Joback Calculated Property |
| η | 0.0002803 | Pa×s | 443.85 | Joback Calculated Property |
| η | 0.0001775 | Pa×s | 486.91 | Joback Calculated Property |
| ΔfusH | 3.53 | kJ/mol | 358.20 | NIST |
| ΔsubH | [7.70; 57.70] | kJ/mol | [289.50; 312.50] |
|
| ΔsubH | 57.70 ± 2.80 | kJ/mol | 289.50 | NIST |
| ΔsubH | 57.00 ± 0.40 | kJ/mol | 292.00 | NIST |
| ΔsubH | 7.70 ± 0.10 | kJ/mol | 312.50 | NIST |
Similar Compounds
Find more compounds similar to Tri-t-butylmethane.
Sources
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