- InChI
- InChI=1S/C13H18/c1-9(2)12-7-6-11-5-4-10(3)8-13(11)12/h4-5,8-9,12H,6-7H2,1-3H3
- InChI Key
- VTHXZGHOXXVVSE-UHFFFAOYSA-N
- Formula
- C13H18
- SMILES
- Cc1ccc2c(c1)C(C(C)C)CC2
- Molecular Weight1
- 174.28
- CAS
- 828-97-7
- ΔcH°liquid : Standard liquid 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°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).
- 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°liquid | -7574.30 ± 1.10 | kJ/mol | NIST |
| ΔfG° | 210.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -30.54 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -113.00 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 17.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.66 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 3.681 | Crippen Calculated Property | |
| McVol | 159.410 | ml/mol | McGowan Calculated Property |
| Pc | 2433.84 | kPa | Joback Calculated Property |
| Tboil | 539.78 | K | Joback Calculated Property |
| Tc | 758.37 | K | Joback Calculated Property |
| Tfus | 290.67 | K | Joback Calculated Property |
| Vc | 0.607 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.42; 474.91] | J/mol×K | [539.78; 758.37] | 
|
| Cp,gas | 380.42 | J/mol×K | 539.78 | Joback Calculated Property |
| Cp,gas | 398.79 | J/mol×K | 576.21 | Joback Calculated Property |
| Cp,gas | 416.03 | J/mol×K | 612.64 | Joback Calculated Property |
| Cp,gas | 432.20 | J/mol×K | 649.07 | Joback Calculated Property |
| Cp,gas | 447.36 | J/mol×K | 685.51 | Joback Calculated Property |
| Cp,gas | 461.58 | J/mol×K | 721.94 | Joback Calculated Property |
| Cp,gas | 474.91 | J/mol×K | 758.37 | Joback Calculated Property |
| η | [0.0003718; 0.0017833] | Pa×s | [290.67; 539.78] |
|
| η | 0.0017833 | Pa×s | 290.67 | Joback Calculated Property |
| η | 0.0011663 | Pa×s | 332.19 | Joback Calculated Property |
| η | 0.0008383 | Pa×s | 373.71 | Joback Calculated Property |
| η | 0.0006437 | Pa×s | 415.23 | Joback Calculated Property |
| η | 0.0005186 | Pa×s | 456.74 | Joback Calculated Property |
| η | 0.0004331 | Pa×s | 498.26 | Joback Calculated Property |
| η | 0.0003718 | Pa×s | 539.78 | Joback Calculated Property |
Similar Compounds
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Sources
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