- InChI
- InChI=1S/C20H32/c1-3-5-7-8-12-18-16-20-14-10-9-13-19(20)15-17(18)11-6-4-2/h15-16H,3-14H2,1-2H3
- InChI Key
- QKAUPJCSSOTPHK-UHFFFAOYSA-N
- Formula
- C20H32
- SMILES
- CCCCCCc1cc2c(cc1CCCC)CCCC2
- Molecular Weight1
- 272.47
- CAS
- 66538-96-3
- Other Names
-
- 1,2,3,4-Tetrahydro-6-butyl-7-hexylnaphthalene
- 6-Butyl-7-hexyl-1,2,3,4-tetrahydronaphthalene
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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° | 257.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -167.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.77 | kJ/mol | Joback Calculated Property |
| log10WS | -7.09 | Crippen Calculated Property | |
| logPoct/wat | 6.031 | Crippen Calculated Property | |
| McVol | 258.040 | ml/mol | McGowan Calculated Property |
| Pc | 1409.07 | kPa | Joback Calculated Property |
| Tboil | 714.30 | K | Joback Calculated Property |
| Tc | 914.72 | K | Joback Calculated Property |
| Tfus | 397.80 | K | Joback Calculated Property |
| Vc | 0.998 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [755.38; 862.52] | J/mol×K | [714.30; 914.72] | 
|
| Cp,gas | 755.38 | J/mol×K | 714.30 | Joback Calculated Property |
| Cp,gas | 775.85 | J/mol×K | 747.70 | Joback Calculated Property |
| Cp,gas | 795.20 | J/mol×K | 781.11 | Joback Calculated Property |
| Cp,gas | 813.48 | J/mol×K | 814.51 | Joback Calculated Property |
| Cp,gas | 830.75 | J/mol×K | 847.91 | Joback Calculated Property |
| Cp,gas | 847.07 | J/mol×K | 881.32 | Joback Calculated Property |
| Cp,gas | 862.52 | J/mol×K | 914.72 | Joback Calculated Property |
| η | [0.0001590; 0.0015060] | Pa×s | [397.80; 714.30] |
|
| η | 0.0015060 | Pa×s | 397.80 | Joback Calculated Property |
| η | 0.0008314 | Pa×s | 450.55 | Joback Calculated Property |
| η | 0.0005199 | Pa×s | 503.30 | Joback Calculated Property |
| η | 0.0003554 | Pa×s | 556.05 | Joback Calculated Property |
| η | 0.0002595 | Pa×s | 608.80 | Joback Calculated Property |
| η | 0.0001992 | Pa×s | 661.55 | Joback Calculated Property |
| η | 0.0001590 | Pa×s | 714.30 | Joback Calculated Property |
| ΔvapH | 78.10 | kJ/mol | 444.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [475.09; 655.78] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.96579e+01 | |||
| Coefficient B | -9.99456e+03 | |||
| Coefficient C | 4.08820e+01 | |||
| Temperature range, min. | 475.09 | |||
| Temperature range, max. | 655.78 | |||
| Pvap | 1.33 | kPa | 475.09 | Calculated Property |
| Pvap | 2.75 | kPa | 495.17 | Calculated Property |
| Pvap | 5.40 | kPa | 515.24 | Calculated Property |
| Pvap | 10.10 | kPa | 535.32 | Calculated Property |
| Pvap | 18.11 | kPa | 555.40 | Calculated Property |
| Pvap | 31.26 | kPa | 575.47 | Calculated Property |
| Pvap | 52.13 | kPa | 595.55 | Calculated Property |
| Pvap | 84.27 | kPa | 615.63 | Calculated Property |
| Pvap | 132.40 | kPa | 635.70 | Calculated Property |
| Pvap | 202.66 | kPa | 655.78 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 6-butyl-7-hexyl-1,2,3,4-tetrahydro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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