- InChI
- InChI=1S/C8H16/c1-6-4-5-7(2)8(6)3/h6-8H,4-5H2,1-3H3/t6-,7+,8+
- InChI Key
- VCWNHOPGKQCXIQ-JIGDXULJSA-N
- Formula
- C8H16
- SMILES
- C[C@H]1[C@H](C)CC[C@@H]1C
- Molecular Weight1
- 112.22
- CAS
- 19374-46-0
- Other Names
-
- 1,trans-2,cis-3-trimethylcyclopentane
- 1-trans-2-cis-3-Trimethylcyclopentane
- r-1,t-2,c-3-trimethylcyclopentane
- cis,trans,cis-1,2,3-Trimethylcyclopentane
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.2528 | Relay (1.0) Calculated Property | |
| ΔfG° | 37.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.688 | Crippen Calculated Property | |
| McVol | 112.720 | ml/mol | McGowan Calculated Property |
| Pc | 2853.57 | kPa | Joback Calculated Property |
| Inp | [734.00; 766.00] |
|
|
| Inp | 745.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 747.40 | NIST | |
| Inp | 750.55 | NIST | |
| Inp | 751.70 | NIST | |
| Inp | 748.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 748.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 752.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | Outlier 766.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 748.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 754.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 747.70 | NIST | |
| Inp | 743.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | Outlier 734.00 | NIST | |
| Tboil | [380.90; 383.56] | K |
|
| Tboil | 383.55 ± 0.10 | K | NIST |
| Tboil | 383.56 ± 0.30 | K | NIST |
| Tboil | Outlier 380.90 ± 3.00 | K | NIST |
| Tboil | 383.40 ± 0.60 | K | NIST |
| Tboil | 383.05 ± 0.30 | K | NIST |
| Tboil | 383.40 ± 1.50 | K | NIST |
| Tc | 598.08 | K | Relay (1.0) Calculated Property |
| Tfus | [160.41; 160.44] | K |
|
| Tfus | 160.42 ± 0.06 | K | NIST |
| Tfus | 160.43 ± 0.04 | K | NIST |
| Tfus | 160.43 ± 0.20 | K | NIST |
| Tfus | 160.41 ± 0.05 | K | NIST |
| Tfus | 160.44 ± 0.02 | K | NIST |
| Tfus | 160.42 ± 0.07 | K | NIST |
| Tfus | 160.41 ± 0.20 | K | NIST |
| Vc | 0.455 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.50; 428.67] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.29900e+01 | |||
| Coefficient B | 8.42560e-01 | |||
| Coefficient C | -4.28000e-04 | |||
| Coefficient D | 6.71000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 146.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 237.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 276.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 311.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 342.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 368.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 392.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 411.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 428.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015122; 0.0002481] | Pa×s | [160.42; 406.19] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -9.48157e+00 | |||
| Coefficient B | 4.79240e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 160.42 | |||
| Temperature range, max. | 406.19 | |||
| η | 0.0015122 | Pa×s | 160.42 | Calculated Property |
| η | 0.0009792 | Pa×s | 187.73 | Calculated Property |
| η | 0.0007081 | Pa×s | 215.04 | Calculated Property |
| η | 0.0005508 | Pa×s | 242.34 | Calculated Property |
| η | 0.0004509 | Pa×s | 269.65 | Calculated Property |
| η | 0.0003829 | Pa×s | 296.96 | Calculated Property |
| η | 0.0003342 | Pa×s | 324.27 | Calculated Property |
| η | 0.0002980 | Pa×s | 351.57 | Calculated Property |
| η | 0.0002701 | Pa×s | 378.88 | Calculated Property |
| η | 0.0002481 | Pa×s | 406.19 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [276.93; 431.02] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.26924e+01 | |||
| Coefficient B | -2.80821e+03 | |||
| Coefficient C | -5.05480e+01 | |||
| Temperature range, min. | 276.93 | |||
| Temperature range, max. | 431.02 | |||
| Pvap | 1.33 | kPa | 276.93 | Calculated Property |
| Pvap | 3.19 | kPa | 294.05 | Calculated Property |
| Pvap | 6.80 | kPa | 311.17 | Calculated Property |
| Pvap | 13.22 | kPa | 328.29 | Calculated Property |
| Pvap | 23.78 | kPa | 345.41 | Calculated Property |
| Pvap | 40.10 | kPa | 362.54 | Calculated Property |
| Pvap | 64.05 | kPa | 379.66 | Calculated Property |
| Pvap | 97.67 | kPa | 396.78 | Calculated Property |
| Pvap | 143.13 | kPa | 413.90 | Calculated Property |
| Pvap | 202.66 | kPa | 431.02 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentane, 1,2,3-trimethyl-, (1«alpha»,2«beta»,3«alpha»)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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