- InChI
- InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
- InChI Key
- WWRCMNKATXZARA-UHFFFAOYSA-N
- Formula
- C10H14
- SMILES
- Cc1ccccc1C(C)C
- Molecular Weight1
- 134.22
- CAS
- 527-84-4
- Other Names
-
- 1-(1-methylethyl)-2-methylbenzene
- 1-Isopropyl-2-methylbenzene
- 1-Methyl-2-(1-methylethyl)-benzene
- 1-Methyl-2-iso-propylbenzene
- 1-Methyl-2-isopropylbenzene
- 1-methyl,2-n-isopropylbenzene
- 1-methyl-2-propan-2-ylbenzene
- 2-Isopropyltoluene
- Benzene, 1-methyl-2-(1-methylethyl)-
- Cymene, ortho
- UN 2046
- o-Cymol
- o-Isopropyltoluene
- ortho-Cymene
- 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).
- Inp : Non-polar retention indices.
- I : 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 | 0.3357 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-5862.62; -5859.90] | kJ/mol |
|
| ΔcH°liquid | -5862.62 ± 0.84 | kJ/mol | NIST |
| ΔcH°liquid | -5859.90 ± 2.20 | kJ/mol | NIST |
| ΔfG° | 133.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -21.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | [-76.10; -73.30] | kJ/mol |
|
| ΔfH°liquid | -73.30 ± 1.00 | kJ/mol | NIST |
| ΔfH°liquid | -76.10 ± 2.10 | kJ/mol | NIST |
| ΔfusH° | 11.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.60 | kJ/mol | NIST |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.76; -3.76] |
|
|
| log10WS | -3.76 | Aq. Solubility Prediction | |
| log10WS | -3.76 | Estimated Solubility | |
| logPoct/wat | 3.118 | Crippen Calculated Property | |
| McVol | 128.000 | ml/mol | McGowan Calculated Property |
| Pc | 2909.25 | kPa | Joback Calculated Property |
| Inp | [1001.00; 1051.30] |
|
|
| Inp | 1029.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1020.60 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | Outlier 1045.00 | NIST | |
| Inp | 1013.50 | NIST | |
| Inp | 1015.80 | NIST | |
| Inp | 1032.30 | NIST | |
| Inp | 1038.40 | NIST | |
| Inp | Outlier 1044.90 | NIST | |
| Inp | 1016.90 | NIST | |
| Inp | 1010.40 | NIST | |
| Inp | 1013.50 | NIST | |
| Inp | 1015.80 | NIST | |
| Inp | 1010.42 | NIST | |
| Inp | 1033.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1016.90 | NIST | |
| Inp | 1016.40 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1024.70 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | Outlier 1002.00 | NIST | |
| Inp | 1019.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | Outlier 1043.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1009.85 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1027.70 | NIST | |
| Inp | Outlier 1050.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1028.40 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1025.40 | NIST | |
| Inp | Outlier 1051.30 | NIST | |
| Inp | 1020.40 | NIST | |
| Inp | 1022.70 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1019.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | Outlier 1001.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | Outlier 1006.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | Outlier 1041.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1019.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1016.90 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | Outlier 1001.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1032.30 | NIST | |
| Inp | 1013.50 | NIST | |
| Inp | 1016.90 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1017.00 | NIST | |
| I | [1248.00; 1334.00] |
|
|
| I | 1276.40 | NIST | |
| I | 1274.80 | NIST | |
| I | 1274.80 | NIST | |
| I | 1260.00 | NIST | |
| I | 1276.00 | NIST | |
| I | 1279.00 | NIST | |
| I | 1254.00 | NIST | |
| I | 1266.00 | NIST | |
| I | 1287.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1321.00 | NIST | |
| I | Outlier 1334.00 | NIST | |
| I | 1299.00 | NIST | |
| I | 1275.00 | NIST | |
| I | 1268.00 | NIST | |
| I | 1291.00 | NIST | |
| I | 1248.00 | NIST | |
| I | 1298.00 | NIST | |
| I | 1272.00 | NIST | |
| I | 1261.00 | NIST | |
| I | 1275.00 | NIST | |
| I | 1275.00 | NIST | |
| I | 1280.00 | NIST | |
| I | 1276.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1275.00 | NIST | |
| I | 1268.00 | NIST | |
| I | 1260.00 | NIST | |
| Tboil | [448.00; 451.50] | K |
|
| Tboil | 451.30 | K | NIST |
| Tboil | 451.00 ± 3.00 | K | NIST |
| Tboil | 451.00 ± 3.00 | K | NIST |
| Tboil | 451.28 ± 0.20 | K | NIST |
| Tboil | 451.38 ± 0.20 | K | NIST |
| Tboil | 451.50 ± 0.30 | K | NIST |
| Tboil | 451.33 ± 0.20 | K | NIST |
| Tboil | 451.28 ± 0.30 | K | NIST |
| Tboil | 451.28 ± 0.30 | K | NIST |
| Tboil | 448.00 ± 3.00 | K | NIST |
| Tboil | 450.40 ± 2.00 | K | NIST |
| Tboil | 450.40 ± 1.50 | K | NIST |
| Tboil | 451.50 ± 0.20 | K | NIST |
| Tboil | 451.50 ± 0.15 | K | NIST |
| Tboil | 451.50 ± 0.30 | K | NIST |
| Tboil | 448.20 ± 2.00 | K | NIST |
| Tboil | 449.00 ± 3.00 | K | NIST |
| Tboil | 448.00 ± 4.00 | K | NIST |
| Tboil | 448.00 ± 3.00 | K | NIST |
| Tc | 658.28 | K | Relay (1.0) Calculated Property |
| Tfus | [188.95; 201.61] | K |
|
| Tfus | 201.40 | K | Aq. Solubility Prediction |
| Tfus | 197.91 ± 0.04 | K | NIST |
| Tfus | 201.58 ± 0.03 | K | NIST |
| Tfus | 201.58 ± 0.03 | K | NIST |
| Tfus | 201.61 ± 0.02 | K | NIST |
| Tfus | 191.62 ± 0.04 | K | NIST |
| Tfus | 188.95 ± 0.60 | K | NIST |
| Tfus | 201.44 ± 0.20 | K | NIST |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 44.40 | kJ/mol | 403.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.60; 414.21] | 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 | -2.74900e+01 | |||
| Coefficient B | 8.21360e-01 | |||
| Coefficient C | -4.87560e-04 | |||
| Coefficient D | 1.07900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 162.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 206.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 246.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 281.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 311.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 338.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 361.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 382.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 399.36 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 414.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0079021; 0.0001942] | Pa×s | [198.26; 469.36] |
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 | -1.12565e+01 | |||
| Coefficient B | 1.27202e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 198.26 | |||
| Temperature range, max. | 469.36 | |||
| η | 0.0079021 | Pa×s | 198.26 | Calculated Property |
| η | 0.0033903 | Pa×s | 228.38 | Calculated Property |
| η | 0.0017717 | Pa×s | 258.51 | Calculated Property |
| η | 0.0010601 | Pa×s | 288.63 | Calculated Property |
| η | 0.0006990 | Pa×s | 318.75 | Calculated Property |
| η | 0.0004953 | Pa×s | 348.87 | Calculated Property |
| η | 0.0003707 | Pa×s | 378.99 | Calculated Property |
| η | 0.0002895 | Pa×s | 409.12 | Calculated Property |
| η | 0.0002339 | Pa×s | 439.24 | Calculated Property |
| η | 0.0001942 | Pa×s | 469.36 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [8.77e-06; 2848.83] | kPa | [201.64; 662.00] |
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 | 7.51654e+01 | |||
| Coefficient B | -8.25896e+03 | |||
| Coefficient C | -8.66782e+00 | |||
| Coefficient D | 3.57058e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 201.64 | |||
| Temperature range, max. | 662.00 | |||
| Pvap | 8.77e-06 | kPa | 201.64 | Calculated Property |
| Pvap | 5.34e-03 | kPa | 252.79 | Calculated Property |
| Pvap | 0.29 | kPa | 303.94 | Calculated Property |
| Pvap | 4.29 | kPa | 355.09 | Calculated Property |
| Pvap | 28.72 | kPa | 406.24 | Calculated Property |
| Pvap | 116.84 | kPa | 457.40 | Calculated Property |
| Pvap | 341.90 | kPa | 508.55 | Calculated Property |
| Pvap | 798.81 | kPa | 559.70 | Calculated Property |
| Pvap | 1594.84 | kPa | 610.85 | Calculated Property |
| Pvap | 2848.83 | kPa | 662.00 | Calculated Property |
| Pvap | [4.15; 104.97] | kPa | [354.32; 452.86] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50627e+01 | |||
| Coefficient B | -4.32994e+03 | |||
| Coefficient C | -3.68780e+01 | |||
| Reference | McDonald, Shrader, et al., 1959 | |||
| Temperature range, min. | 354.32 | |||
| Temperature range, max. | 452.86 | |||
| Pvap | 4.15 | kPa | 354.32 | Calculated Property |
| Pvap | 6.54 | kPa | 365.27 | Calculated Property |
| Pvap | 10.00 | kPa | 376.22 | Calculated Property |
| Pvap | 14.90 | kPa | 387.17 | Calculated Property |
| Pvap | 21.68 | kPa | 398.12 | Calculated Property |
| Pvap | 30.84 | kPa | 409.06 | Calculated Property |
| Pvap | 43.01 | kPa | 420.01 | Calculated Property |
| Pvap | 58.87 | kPa | 430.96 | Calculated Property |
| Pvap | 79.23 | kPa | 441.91 | Calculated Property |
| Pvap | 104.97 | kPa | 452.86 | Calculated Property |
Similar Compounds
Find more compounds similar to o-Cymene.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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