- InChI
- InChI=1S/C18H38/c1-15(2,3)13(16(4,5)6)14(17(7,8)9)18(10,11)12/h13-14H,1-12H3
- InChI Key
- RMASWOHNLWIUPT-UHFFFAOYSA-N
- Formula
- C18H38
- SMILES
-
CC(C)(C)C(C(C(C)(C)C)C(C)(C)C)
C(C)(C)C - Molecular Weight1
- 254.49
- CAS
- 62850-21-9
- Other Names
-
- 1,1,2,2-Tetra-t-butylethane
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (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 |
|---|---|---|---|
| ΔcH°solid | -12189.00 ± 4.00 | kJ/mol | NIST |
| ΔfG° | 107.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -251.00 ± 4.00 | kJ/mol | NIST |
| ΔfH°solid | -325.00 ± 4.00 | kJ/mol | NIST |
| ΔfusH° | 5.67 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [74.00; 74.30] | kJ/mol |
|
| ΔsubH° | 74.00 | kJ/mol | NIST |
| ΔsubH° | 74.30 | kJ/mol | NIST |
| ΔvapH° | 49.70 | kJ/mol | Joback Calculated Property |
| log10WS | -5.91 | Crippen Calculated Property | |
| logPoct/wat | 6.403 | Crippen Calculated Property | |
| McVol | 264.480 | ml/mol | McGowan Calculated Property |
| Pc | 1227.70 | kPa | Joback Calculated Property |
| Tboil | 597.44 | K | Joback Calculated Property |
| Tc | 794.00 | K | Joback Calculated Property |
| Tfus | 272.30 | K | Joback Calculated Property |
| Vc | 0.988 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [732.81; 860.62] | J/mol×K | [597.44; 794.00] |
|
| Cp,gas | 732.81 | J/mol×K | 597.44 | Joback Calculated Property |
| Cp,gas | 757.65 | J/mol×K | 630.20 | Joback Calculated Property |
| Cp,gas | 780.93 | J/mol×K | 662.96 | Joback Calculated Property |
| Cp,gas | 802.77 | J/mol×K | 695.72 | Joback Calculated Property |
| Cp,gas | 823.26 | J/mol×K | 728.48 | Joback Calculated Property |
| Cp,gas | 842.51 | J/mol×K | 761.24 | Joback Calculated Property |
| Cp,gas | 860.62 | J/mol×K | 794.00 | Joback Calculated Property |
| η | [0.0000681; 0.0298051] | Pa×s | [272.30; 597.44] |
|
| η | 0.0298051 | Pa×s | 272.30 | Joback Calculated Property |
| η | 0.0046636 | Pa×s | 326.49 | Joback Calculated Property |
| η | 0.0012373 | Pa×s | 380.68 | Joback Calculated Property |
| η | 0.0004570 | Pa×s | 434.87 | Joback Calculated Property |
| η | 0.0002104 | Pa×s | 489.06 | Joback Calculated Property |
| η | 0.0001131 | Pa×s | 543.25 | Joback Calculated Property |
| η | 0.0000681 | Pa×s | 597.44 | Joback Calculated Property |
| ΔsubH | [71.90; 74.27] | kJ/mol | [303.00; 334.50] |
|
| ΔsubH | 74.27 ± 0.54 | kJ/mol | 303.00 | NIST |
| ΔsubH | 71.90 | kJ/mol | 334.50 | NIST |
Similar Compounds
Find more compounds similar to Hexane, 3,4-bis(1,1-dimethylethyl)-2,2,5,5-tetramethyl-.
Sources
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