- InChI
- InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3
- InChI Key
- YQZBFMJOASEONC-UHFFFAOYSA-N
- Formula
- C10H14
- SMILES
- CCCc1ccccc1C
- Molecular Weight1
- 134.22
- CAS
- 1074-17-5
- Other Names
-
- 1-Methyl-2-n-propylbenzene
- 1-Methyl-2-propylbenzene
- 2-Propyltoluene
- 2-n-Propyltoluene
- O-METHYLPROPYLBENZENE
- Toluene, o-propyl-
- o-Propyltoluene
- ω : Acentric Factor.
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.3990; 0.3990] |
|
|
| ω | 0.3990 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.3990 | KDB | |
| ΔcH°liquid | [-5863.46; -5862.70] | kJ/mol |
|
| ΔcH°liquid | -5863.46 ± 0.88 | kJ/mol | NIST |
| ΔcH°liquid | -5862.70 ± 2.20 | kJ/mol | NIST |
| ΔfG° | 136.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -14.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | [-73.30; -72.50] | kJ/mol |
|
| ΔfH°liquid | -72.50 ± 1.00 | kJ/mol | NIST |
| ΔfH°liquid | -73.30 ± 2.10 | kJ/mol | NIST |
| ΔfusH° | 15.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.70 | kJ/mol | NIST |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.948 | Crippen Calculated Property | |
| McVol | 128.000 | ml/mol | McGowan Calculated Property |
| Pc | [2887.76; 2964.00] | kPa |
|
| Pc | 2887.76 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 2964.00 | kPa | KDB |
| Inp | [172.80; 1089.00] |
|
|
| Inp | 1056.70 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1057.50 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1048.30 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1073.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1045.40 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1065.40 | NIST | |
| Inp | 1072.90 | NIST | |
| Inp | 1045.80 | NIST | |
| Inp | 1039.40 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1045.40 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1039.41 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1079.00 | NIST | |
| Inp | 1073.00 | NIST | |
| Inp | 1080.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1045.80 | NIST | |
| Inp | 1046.30 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1050.50 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1075.20 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1079.00 | NIST | |
| Inp | 1057.85 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1055.00 | NIST | |
| Inp | 1058.80 | NIST | |
| Inp | 1048.90 | NIST | |
| Inp | 1052.50 | NIST | |
| Inp | 1052.22 | NIST | |
| Inp | 1052.67 | NIST | |
| Inp | 1053.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1055.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1063.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1067.00 | NIST | |
| Inp | 1061.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1074.10 | NIST | |
| Inp | 1056.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1063.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1046.10 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | Outlier 172.80 | NIST | |
| Inp | 1063.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | 1058.80 | NIST | |
| Inp | 1053.00 | NIST | |
| Inp | 1057.85 | NIST | |
| Ip | [1299.00; 1384.00] |
|
|
| Ip | 1327.70 | NIST | |
| Ip | 1305.40 | NIST | |
| Ip | 1321.50 | NIST | |
| Ip | 1305.40 | NIST | |
| Ip | 1299.00 | NIST | |
| Ip | 1330.00 | NIST | |
| Ip | 1342.00 | NIST | |
| Ip | 1342.00 | NIST | |
| Ip | 1355.00 | NIST | |
| Ip | 1368.00 | NIST | |
| Ip | Outlier 1384.00 | NIST | |
| Ip | 1329.00 | NIST | |
| Ip | 1305.00 | NIST | |
| Ip | 1328.00 | NIST | |
| Ip | 1305.00 | NIST | |
| Ip | 1313.00 | NIST | |
| Ip | 1328.00 | NIST | |
| Ip | 1327.70 | NIST | |
| Tboil | [454.15; 548.20] | K |
|
| Tboil | Outlier 548.20 | K | KDB |
| Tboil | 458.20 | K | NIST |
| Tboil | 457.15 ± 0.50 | K | NIST |
| Tboil | 458.08 ± 0.20 | K | NIST |
| Tboil | 458.09 ± 0.30 | K | NIST |
| Tboil | 457.90 ± 0.20 | K | NIST |
| Tboil | 457.90 ± 0.20 | K | NIST |
| Tboil | 457.90 ± 0.20 | K | NIST |
| Tboil | 457.90 ± 0.40 | K | NIST |
| Tboil | 457.90 ± 0.30 | K | NIST |
| Tboil | 457.00 ± 2.00 | K | NIST |
| Tboil | 454.15 ± 3.00 | K | NIST |
| Tc | [662.10; 672.50] | K |
|
| Tc | 662.10 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 672.50 | K | KDB |
| Tfus | [212.71; 213.00] | K |
|
| Tfus | 213.00 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 212.95 | K | KDB |
| Tfus | 212.84 ± 0.01 | K | NIST |
| Tfus | 212.71 ± 0.20 | K | NIST |
| Vc | [0.490; 0.490] | m3/kmol |
|
| Vc | 0.490 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.490 | m3/kmol | KDB |
| Zc | 0.2596380 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 48.00 | kJ/mol | 412.50 | NIST |
| ρl | 872.44 | kg/m3 | 293.10 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.91; 413.67] | 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 | -2.58080e+01 | |||
| Coefficient B | 8.15440e-01 | |||
| Coefficient C | -4.84360e-04 | |||
| Coefficient D | 1.08400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 162.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 206.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 245.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 280.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 311.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 337.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 361.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 381.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 398.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 413.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0048696; 0.0002075] | Pa×s | [212.88; 467.11] |
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 | -1.11225e+01 | |||
| Coefficient B | 1.23420e+03 | |||
| 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. | 212.88 | |||
| Temperature range, max. | 467.11 | |||
| η | 0.0048696 | Pa×s | 212.88 | Calculated Property |
| η | 0.0024689 | Pa×s | 241.12 | Calculated Property |
| η | 0.0014434 | Pa×s | 269.37 | Calculated Property |
| η | 0.0009344 | Pa×s | 297.62 | Calculated Property |
| η | 0.0006522 | Pa×s | 325.87 | Calculated Property |
| η | 0.0004822 | Pa×s | 354.12 | Calculated Property |
| η | 0.0003727 | Pa×s | 382.36 | Calculated Property |
| η | 0.0002985 | Pa×s | 410.61 | Calculated Property |
| η | 0.0002460 | Pa×s | 438.86 | Calculated Property |
| η | 0.0002075 | Pa×s | 467.11 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [337.99; 487.68] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44694e+01 | |||
| Coefficient B | -3.86967e+03 | |||
| Coefficient C | -6.51320e+01 | |||
| Temperature range, min. | 337.99 | |||
| Temperature range, max. | 487.68 | |||
| Pvap | 1.33 | kPa | 337.99 | Calculated Property |
| Pvap | 3.01 | kPa | 354.62 | Calculated Property |
| Pvap | 6.22 | kPa | 371.25 | Calculated Property |
| Pvap | 11.94 | kPa | 387.89 | Calculated Property |
| Pvap | 21.49 | kPa | 404.52 | Calculated Property |
| Pvap | 36.60 | kPa | 421.15 | Calculated Property |
| Pvap | 59.45 | kPa | 437.78 | Calculated Property |
| Pvap | 92.65 | kPa | 454.42 | Calculated Property |
| Pvap | 139.24 | kPa | 471.05 | Calculated Property |
| Pvap | 202.64 | kPa | 487.68 | Calculated Property |
| Pvap | [1.36; 201.38] | kPa | [337.15; 488.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.06243e+02 | |||
| Coefficient B | -9.80205e+03 | |||
| Coefficient C | -1.33532e+01 | |||
| Coefficient D | 7.58129e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 337.15 | |||
| Temperature range, max. | 488.15 | |||
| Pvap | 1.36 | kPa | 337.15 | Calculated Property |
| Pvap | 3.09 | kPa | 353.93 | Calculated Property |
| Pvap | 6.38 | kPa | 370.71 | Calculated Property |
| Pvap | 12.23 | kPa | 387.48 | Calculated Property |
| Pvap | 21.95 | kPa | 404.26 | Calculated Property |
| Pvap | 37.22 | kPa | 421.04 | Calculated Property |
| Pvap | 60.13 | kPa | 437.82 | Calculated Property |
| Pvap | 93.14 | kPa | 454.59 | Calculated Property |
| Pvap | 139.13 | kPa | 471.37 | Calculated Property |
| Pvap | 201.38 | kPa | 488.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-2-propyl-.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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