Chemical Properties of Phenol, 3-methyl- (CAS 108-39-4)

Phenol, 3-methyl-

PDF Excel Molecule Calculator
InChI
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChI Key
RLSSMJSEOOYNOY-UHFFFAOYSA-N
Formula
C7H8O
SMILES
Cc1cccc(O)c1
Molecular Weight1
108.14
CAS
108-39-4
Other Names
  • 1-Hydroxy-3-methylbenzene
  • 3-Cresol
  • 3-Hydroxytoluene
  • 3-METHYLPHENOL
  • Cresol, meta
  • Cresol,m-
  • M-CRESYLIC ACID
  • M-HYDROXYTOLUENE
  • NSC 8768
  • Rcra waste number U052
  • m-Cresol
  • m-Cresole
  • m-Kresol
  • m-Methylphenol
  • m-Oxytoluene
  • m-Toluol
  • meta-Cresol
  • meta-hydroxytoluene
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Physical Properties

Property Value Unit Source
ω 0.4540 KDB
PAff 841.00 ± 8.00 kJ/mol NIST
BasG 809.00 ± 8.00 kJ/mol NIST
Δcliquid [-3721.00; -3694.00] kJ/mol Show Hide
Δcliquid -3704.70 ± 0.30 kJ/mol NIST
Δcliquid -3703.90 ± 0.59 kJ/mol NIST
Δcliquid -3721.00 kJ/mol NIST
Δcliquid -3704.40 kJ/mol NIST
Δcliquid -3694.00 kJ/mol NIST
μ 1.80 debye KDB
Δf -40.57 kJ/mol KDB
Δfgas [-133.80; -117.30] kJ/mol Show Hide
Δfgas -132.40 kJ/mol KDB
Δfgas -133.60 ± 1.10 kJ/mol NIST
Δfgas -132.30 ± 1.10 kJ/mol NIST
Δfgas -117.30 kJ/mol NIST
Δfgas -133.80 kJ/mol NIST
Δfliquid [-194.10; -177.00] kJ/mol Show Hide
Δfliquid -193.30 kJ/mol NIST
Δfliquid -194.10 ± 1.10 kJ/mol NIST
Δfliquid -177.00 kJ/mol NIST
Δfliquid -193.50 kJ/mol NIST
Δfus 13.71 kJ/mol Joback Calculated Property
Δvap 46.47 kJ/mol Joback Calculated Property
IE [8.23; 8.98] eV Show Hide
IE 8.29 ± 0.02 eV NIST
IE 8.36 ± 0.11 eV NIST
IE 8.29 ± 0.02 eV NIST
IE 8.23 eV NIST
IE 8.52 ± 0.05 eV NIST
IE Outlier 8.98 eV NIST
IE 8.41 eV NIST
IE 8.52 eV NIST
log10WS [-0.68; -0.68]   Show Hide
log10WS -0.68 Aq. Sol...
log10WS -0.68 Estimat...
logPoct/wat 1.701 Crippen Calculated Property
McVol 91.600 ml/mol McGowan Calculated Property
NFPA Fire 1 KDB
NFPA Health 2 KDB
Pc [4360.00; 4564.69] kPa Show Hide
Pc 4560.00 kPa KDB
Pc Outlier 4360.00 ± 588.40 kPa NIST
Pc 4559.63 ± 303.98 kPa NIST
Pc 4560.00 ± 91.19 kPa NIST
Pc 4554.56 ± 151.99 kPa NIST
Pc 4564.69 ± 151.99 kPa NIST
Inp [171.00; 1105.00]   Show Hide
Inp 1045.00 NIST
Inp 1059.00 NIST
Inp 1052.00 NIST
Inp 1059.00 NIST
Inp 1036.00 NIST
Inp 1028.90 NIST
Inp 1034.50 NIST
Inp 1037.00 NIST
Inp 1037.00 NIST
Inp 1050.00 NIST
Inp 1050.00 NIST
Inp 1050.00 NIST
Inp 1065.00 NIST
Inp 1075.00 NIST
Inp 1105.00 NIST
Inp 1063.00 NIST
Inp 1065.00 NIST
Inp 1077.00 NIST
Inp 1084.00 NIST
Inp 1053.10 NIST
Inp 1051.70 NIST
Inp 1056.00 NIST
Inp 1054.00 NIST
Inp 1065.00 NIST
Inp 1068.00 NIST
Inp 1051.00 NIST
Inp 1064.00 NIST
Inp 1077.00 NIST
Inp 1070.00 NIST
Inp 1073.90 NIST
Inp 1075.00 NIST
Inp 1064.00 NIST
Inp 1062.00 NIST
Inp 1057.00 NIST
Inp 1057.00 NIST
Inp 1083.00 NIST
Inp 1074.00 NIST
Inp 1100.00 NIST
Inp 1093.00 NIST
Inp 1081.00 NIST
Inp 1075.00 NIST
Inp 1051.00 NIST
Inp 1055.00 NIST
Inp 1055.00 NIST
Inp 1075.00 NIST
Inp 1055.00 NIST
Inp 1075.00 NIST
Inp 1048.00 NIST
Inp 1090.00 NIST
Inp 1071.00 NIST
Inp 1047.00 NIST
Inp 1048.00 NIST
Inp 1091.00 NIST
Inp 1044.00 NIST
Inp 1075.00 NIST
Inp 1073.00 NIST
Inp 1066.00 NIST
Inp 1066.00 NIST
Inp 1070.00 NIST
Inp 1048.00 NIST
Inp 1086.00 NIST
Inp 1068.00 NIST
Inp 1068.00 NIST
Inp 1075.00 NIST
Inp 1067.00 NIST
Inp 1065.00 NIST
Inp 1079.00 NIST
Inp 1052.00 NIST
Inp 1057.00 NIST
Inp 1065.00 NIST
Inp 1073.00 NIST
Inp 1077.00 NIST
Inp 1065.00 NIST
Inp Outlier 175.80 NIST
Inp Outlier 176.00 NIST
Inp Outlier 175.79 NIST
Inp Outlier 178.68 NIST
Inp Outlier 175.40 NIST
Inp Outlier 177.63 NIST
Inp Outlier 171.00 NIST
Inp Outlier 175.80 NIST
Inp Outlier 177.63 NIST
Inp Outlier 177.95 NIST
I [2059.00; 2140.00]   Show Hide
I 2093.00 NIST
I 2085.00 NIST
I 2100.00 NIST
I 2129.00 NIST
I 2091.00 NIST
I 2097.00 NIST
I 2109.00 NIST
I 2097.00 NIST
I 2067.00 NIST
I 2081.00 NIST
I 2083.00 NIST
I 2109.09 NIST
I 2102.63 NIST
I 2109.90 NIST
I 2100.00 NIST
I 2099.00 NIST
I 2081.00 NIST
I 2129.00 NIST
I Outlier 2140.00 NIST
I 2068.00 NIST
I Outlier 2135.00 NIST
I 2077.00 NIST
I 2103.00 NIST
I 2071.00 NIST
I 2111.00 NIST
I 2080.00 NIST
I 2107.00 NIST
I 2115.00 NIST
I 2112.00 NIST
I 2090.00 NIST
I 2114.00 NIST
I 2116.00 NIST
I 2065.00 NIST
I 2088.00 NIST
I 2060.00 NIST
I 2069.00 NIST
I 2106.00 NIST
I 2068.00 NIST
I 2090.00 NIST
I 2091.00 NIST
I 2064.00 NIST
I 2080.00 NIST
I 2085.00 NIST
I 2083.00 NIST
I 2108.00 NIST
I 2059.00 NIST
I 2059.00 NIST
I 2100.00 NIST
liquid 212.59 J/mol×K NIST
Tboil 475.42 K KDB
Tc [705.00; 705.80] K Show Hide
Tc 705.80 K KDB
Tc 705.80 ± 0.40 K NIST
Tc 705.75 ± 0.45 K NIST
Tc 705.15 ± 2.00 K NIST
Tc 705.00 ± 2.50 K NIST
Tc 705.15 ± 2.00 K NIST
Tfus [284.67; 284.90] K Show Hide
Tfus 284.90 K KDB
Tfus 284.67 K Aq. Sol...
Ttriple 285.40 ± 0.02 K NIST
Vc 0.309 m3/kmol KDB
Zc 0.2401070 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [184.27; 237.56] J/mol×K [466.86; 696.68] Show Hide
Cp,gas 184.27 J/mol×K 466.86 Joback Calculated Property
Cp,gas 195.06 J/mol×K 505.16 Joback Calculated Property
Cp,gas 204.98 J/mol×K 543.47 Joback Calculated Property
Cp,gas 214.11 J/mol×K 581.77 Joback Calculated Property
Cp,gas 222.53 J/mol×K 620.08 Joback Calculated Property
Cp,gas 230.32 J/mol×K 658.38 Joback Calculated Property
Cp,gas 237.56 J/mol×K 696.68 Joback Calculated Property
Cp,liquid [216.70; 224.93] J/mol×K [93.00; 298.15] Show Hide
Cp,liquid 220.90 J/mol×K 93.00 NIST
Cp,liquid 216.70 J/mol×K 283.00 NIST
Cp,liquid 218.80 J/mol×K 298.00 NIST
Cp,liquid 224.93 J/mol×K 298.15 NIST
η [0.0017590; 0.0077010] Pa×s [308.15; 353.15] Show Hide
η 0.0077010 Pa×s 308.15 Densiti...
η 0.0061200 Pa×s 313.15 Densiti...
η 0.0050220 Pa×s 318.15 Densiti...
η 0.0041580 Pa×s 323.15 Densiti...
η 0.0035180 Pa×s 328.15 Densiti...
η 0.0029800 Pa×s 333.15 Densiti...
η 0.0022310 Pa×s 343.15 Densiti...
η 0.0017590 Pa×s 353.15 Densiti...
ΔfusH [8.90; 10.71] kJ/mol [280.75; 285.40] Show Hide
ΔfusH 9.10 kJ/mol 280.75 NIST
ΔfusH 9.10 kJ/mol 280.80 NIST
ΔfusH 8.90 kJ/mol 282.30 NIST
ΔfusH 9.41 kJ/mol 285.00 NIST
ΔfusH 10.67 kJ/mol 285.30 NIST
ΔfusH 10.71 kJ/mol 285.40 NIST
ΔfusH 10.71 kJ/mol 285.40 NIST
ΔfusH 10.71 kJ/mol 285.40 NIST
ΔsubH [56.10; 61.70] kJ/mol [279.00; 298.50] Show Hide
ΔsubH 56.10 kJ/mol 279.00 NIST
ΔsubH 61.70 ± 1.00 kJ/mol 298.50 NIST
ΔvapH [43.80; 63.10] kJ/mol [350.50; 578.00] Show Hide
ΔvapH 63.10 kJ/mol 350.50 NIST
ΔvapH 60.60 kJ/mol 408.50 NIST
ΔvapH 58.80 kJ/mol 416.00 NIST
ΔvapH 55.00 kJ/mol 428.00 NIST
ΔvapH 52.70 kJ/mol 443.50 NIST
ΔvapH 50.70 kJ/mol 448.00 NIST
ΔvapH 47.41 kJ/mol 475.40 KDB
ΔvapH 47.60 kJ/mol 501.00 NIST
ΔvapH 43.80 kJ/mol 578.00 NIST
Pvap 20.00 kPa 422.25 Experim...
n0 [1.53200; 1.54140]   [293.15; 308.15] Show Hide
n0 1.54140 293.15 Excess ...
n0 1.54010 293.15 Activit...
n0 1.53950 298.15 Excess ...
n0 1.53950 298.15 (Vapor ...
n0 1.53800 298.15 Densiti...
n0 1.53500 303.15 Densiti...
n0 1.53200 308.15 Densiti...
ρl [993.63; 1034.00] kg/m3 [293.00; 343.15] Show Hide
ρl 1034.00 kg/m3 293.00 KDB
ρl 1033.85 kg/m3 293.15 Liquid-...
ρl 1033.84 kg/m3 293.15 Experim...
ρl 1033.85 kg/m3 293.15 Liquid-...
ρl 1029.91 kg/m3 298.15 Experim...
ρl 1025.96 kg/m3 303.15 Experim...
ρl 1025.95 kg/m3 303.15 Vapor-L...
ρl 1025.71 kg/m3 303.15 Thermod...
ρl 1021.99 kg/m3 308.15 Experim...
ρl 1021.70 kg/m3 308.15 Thermod...
ρl 1018.00 kg/m3 313.15 Experim...
ρl 1017.69 kg/m3 313.15 Thermod...
ρl 1013.99 kg/m3 318.15 Experim...
ρl 1013.65 kg/m3 318.15 Thermod...
ρl 1009.97 kg/m3 323.15 Experim...
ρl 1009.20 kg/m3 323.20 Liquid-...
ρl 1005.91 kg/m3 328.15 Experim...
ρl 1001.84 kg/m3 333.15 Experim...
ρl 997.74 kg/m3 338.15 Experim...
ρl 993.63 kg/m3 343.15 Experim...
ΔfusS [27.53; 33.03] J/mol×K [280.75; 285.40] Show Hide
ΔfusS 32.00 J/mol×K 280.75 NIST
ΔfusS 33.03 J/mol×K 285.00 NIST
ΔfusS 27.53 J/mol×K 285.40 NIST
γ 0.04 N/m 298.20 KDB

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboil [402.24; 428.56] K [9.29; 25.13] Show Hide
Tboil 402.24 K 9.29 Measure...
Tboil 408.55 K 11.93 Measure...
Tboil 413.39 K 14.57 Measure...
Tboil 417.47 K 16.68 Measure...
Tboil 420.54 K 18.79 Measure...
Tboil 422.16 K 20.00 Measure...
Tboil 423.55 K 20.91 Measure...
Tboil 426.04 K 23.02 Measure...
Tboil 428.56 K 25.13 Measure...

Datasets

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
313.22 1001.00 1019.1
313.22 2012.00 1019.8
313.22 3024.00 1020.3
313.22 4007.00 1020.9
313.22 4992.00 1021.4
313.22 6027.00 1022.0
313.22 7013.00 1022.6
313.22 8000.00 1023.1
313.22 9008.00 1023.7
313.22 10014.00 1024.3
313.22 11015.00 1024.8
313.22 12040.00 1025.4
313.22 13022.00 1026.0
313.22 14023.00 1026.4
313.22 15002.00 1026.9
313.22 16009.00 1027.5
313.22 17020.00 1028.0
313.22 18021.00 1028.5
313.22 19016.00 1029.0
313.22 20026.00 1029.6
313.22 21024.00 1030.1
313.22 22026.00 1030.7
313.22 23030.00 1031.1
313.22 24017.00 1031.6
313.22 25019.00 1032.2
322.90 1014.00 1011.2
322.90 2041.00 1011.8
322.90 3002.00 1012.4
322.90 4014.00 1013.0
322.90 5012.00 1013.6
322.90 6022.00 1014.2
322.90 7020.00 1014.7
322.90 8018.00 1015.3
322.90 9020.00 1015.9
322.90 10005.00 1016.4
322.90 11018.00 1017.0
322.90 12019.00 1017.6
322.90 13017.00 1018.2
322.90 14010.00 1018.7
322.90 15022.00 1019.3
322.90 16000.00 1019.8
322.90 17011.00 1020.4
322.90 18018.00 1020.9
322.90 19018.00 1021.4
322.90 20009.00 1022.0
322.90 21019.00 1022.6
322.90 22019.00 1023.1
322.90 23006.00 1023.6
322.90 24012.00 1024.1
322.90 25019.00 1024.7
332.61 1018.00 1003.3
332.61 2014.00 1004.0
332.61 3003.00 1004.5
332.61 4030.00 1005.2
332.61 5000.00 1005.8
332.61 6022.00 1006.4
332.61 7020.00 1006.9
332.61 8020.00 1007.5
332.61 9003.00 1008.1
332.61 10014.00 1008.7
332.61 11012.00 1009.3
332.61 12000.00 1009.9
332.61 13000.00 1010.4
332.61 14028.00 1011.0
332.61 15028.00 1011.6
332.61 16023.00 1012.2
332.61 17000.00 1012.7
332.61 18008.00 1013.3
332.61 19000.00 1013.9
332.61 20001.00 1014.4
332.61 21013.00 1014.9
332.61 22010.00 1015.5
332.61 23007.00 1016.0
332.61 24000.00 1016.6
332.61 25008.00 1017.1
342.27 2018.00 995.8
342.27 2999.00 996.4
342.27 3998.00 997.0
342.27 4976.00 997.6
342.27 5984.00 998.3
342.27 7059.00 998.9
342.27 8070.00 999.7
342.27 8967.00 1000.2
342.27 9994.00 1000.8
342.27 10921.00 1001.4
342.27 11964.00 1002.1
342.27 12971.00 1002.6
342.27 13954.00 1003.2
342.27 14960.00 1004.0
342.27 15941.00 1004.3
342.27 16963.00 1005.1
342.27 17992.00 1005.8
342.27 18963.00 1006.2
342.27 19996.00 1006.7
342.27 21003.00 1007.5
342.27 21974.00 1008.0
342.27 22968.00 1008.7
342.27 24051.00 1009.2
342.27 24971.00 1009.7
352.06 1951.00 988.5
352.06 2979.00 989.1
352.06 4034.00 989.8
352.06 4966.00 990.3
352.06 5929.00 990.9
352.06 7014.00 991.6
352.06 8011.00 992.2
352.06 8921.00 992.8
352.06 9982.00 993.4
352.06 10938.00 994.0
352.06 11975.00 994.6
352.06 12999.00 995.3
352.06 13907.00 995.8
352.06 14981.00 996.5
352.06 15966.00 997.1
352.06 16996.00 997.7
352.06 17984.00 998.3
352.06 18991.00 998.9
352.06 20005.00 999.5
352.06 21038.00 1000.1
352.06 22019.00 1000.6
352.06 23001.00 1001.2
352.06 24029.00 1001.8
352.06 24969.00 1002.3
361.90 1990.00 980.5
361.90 3001.00 981.2
361.90 4024.00 981.8
361.90 5019.00 982.5
361.90 6014.00 983.1
361.90 7025.00 983.7
361.90 8019.00 984.4
361.90 9010.00 985.0
361.90 9978.00 985.6
361.90 11019.00 986.3
361.90 12038.00 986.9
361.90 13020.00 987.6
361.90 14021.00 988.2
361.90 15006.00 988.8
361.90 15970.00 989.4
361.90 16988.00 990.1
361.90 17991.00 990.7
361.90 19016.00 991.4
361.90 20042.00 992.0
361.90 20983.00 992.6
361.90 22034.00 993.3
361.90 23021.00 993.9
361.90 24011.00 994.6
361.90 24912.00 995.1
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.68] kPa [370.97; 501.72] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.38350e+01
Coefficient B-3.00508e+03
Coefficient C-1.49150e+02
Temperature range, min.370.97
Temperature range, max.501.72
Pvap 1.33 kPa 370.97 Calculated Property
Pvap 3.07 kPa 385.50 Calculated Property
Pvap 6.40 kPa 400.03 Calculated Property
Pvap 12.33 kPa 414.55 Calculated Property
Pvap 22.20 kPa 429.08 Calculated Property
Pvap 37.70 kPa 443.61 Calculated Property
Pvap 60.91 kPa 458.14 Calculated Property
Pvap 94.27 kPa 472.66 Calculated Property
Pvap 140.52 kPa 487.19 Calculated Property
Pvap 202.68 kPa 501.72 Calculated Property
Pvap [4.30e-03; 4580.17] kPa [285.39; 705.85] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.62599e+02
Coefficient B-1.39270e+04
Coefficient C-2.12308e+01
Coefficient D9.68027e-06
Temperature range, min.285.39
Temperature range, max.705.85
Pvap 4.30e-03 kPa 285.39 Calculated Property
Pvap 0.22 kPa 332.11 Calculated Property
Pvap 3.24 kPa 378.83 Calculated Property
Pvap 22.34 kPa 425.54 Calculated Property
Pvap 93.54 kPa 472.26 Calculated Property
Pvap 281.06 kPa 518.98 Calculated Property
Pvap 675.40 kPa 565.70 Calculated Property
Pvap 1396.14 kPa 612.41 Calculated Property
Pvap 2611.22 kPa 659.13 Calculated Property
Pvap 4580.17 kPa 705.85 Calculated Property

Similar Compounds

3-OH-benzyl. 3-Me-phenoxy. 1,2-Benzenediol, 4-methyl-. Phenol, 3,4-dimethyl-. p-Cresol. Phenol, 2-methyl-. 1,4-Benzenediol, 2-methyl-. Orcinol. Phenol, 2,5-dimethyl-. Benzenemethanol, 3-hydroxy-. Phenol, 3,5-dimethyl-. 1,2-Benzenediol, 3-methyl-. 2-OH-benzyl. Benzaldehyde, 3-hydroxy-. 4-OH-benzyl.

Find more compounds similar to Phenol, 3-methyl-.

Mixtures

Find more mixtures with Phenol, 3-methyl-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.