Chemical Properties of Phenol, 2,4-dimethyl- (CAS 105-67-9)

InChI

InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3

InChI Key

KUFFULVDNCHOFZ-UHFFFAOYSA-N

Formula

C8H10O

SMILES

Cc1ccc(O)c(C)c1

Molecular Weight¹

122.16

CAS

105-67-9

Other Names

• 1,3-Dimethyl-4-hydroxybenzene
• 1-HYDROXY-2,4-DIMETHYLBENZENE
• 2,4-DIMETHYLPHENOL
• 2,4-Xylenol
• 4,6-Dimethylphenol
• 4-Hydroxy-1,3-dimethylbenzene
• NSC 3829
• Rcra waste number U101
• m-Xylenol

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4348.47 ± 0.92	kJ/mol	NIST
μ	2.00	debye	KDB
ΔfG°	-35.36	kJ/mol	Joback Calculated Property
ΔfH°gas	[-163.00; -162.80]	kJ/mol
ΔfH°gas	-162.80	kJ/mol	KDB
ΔfH°gas	-163.00 ± 0.75	kJ/mol	NIST
ΔfH°liquid	-228.80 ± 1.40	kJ/mol	NIST
ΔfusH°	15.91	kJ/mol	Joback Calculated Property
ΔvapH°	[48.53; 65.90]	kJ/mol
ΔvapH°	64.96	kJ/mol	NIST
ΔvapH°	64.60	kJ/mol	NIST
ΔvapH°	65.90 ± 0.20	kJ/mol	NIST
ΔvapH°	65.80	kJ/mol	NIST
ΔvapH°	48.53	kJ/mol	NIST
IE	[8.00; 8.18]	eV
IE	8.00	eV	NIST
IE	8.18	eV	NIST
log10WS	[-1.19; -1.19]
log10WS	-1.19		Aq. Sol...
log10WS	-1.19		Estimat...
logPoct/wat	2.009		Crippen Calculated Property
McVol	105.690	ml/mol	McGowan Calculated Property
Pc	10132.50 ± 0.50	kPa	NIST
Inp	[190.90; 1181.00]
Inp	1124.00		NIST
Inp	1126.00		NIST
Inp	1126.00		NIST
Inp	1127.00		NIST
Inp	1094.00		NIST
Inp	1094.00		NIST
Inp	1130.00		NIST
Inp	1132.00		NIST
Inp	1128.00		NIST
Inp	1162.00		NIST
Inp	1177.00		NIST
Inp	1134.00		NIST
Inp	1123.00		NIST
Inp	1123.00		NIST
Inp	1133.00		NIST
Inp	1135.00		NIST
Inp	1150.00		NIST
Inp	1148.90		NIST
Inp	1150.10		NIST
Inp	1151.40		NIST
Inp	1160.00		NIST
Inp	1150.00		NIST
Inp	1126.00		NIST
Inp	1126.00		NIST
Inp	1172.00		NIST
Inp	1181.00		NIST
Inp	1123.00		NIST
Inp	1123.00		NIST
Inp	1149.00		NIST
Inp	1127.00		NIST
Inp	1120.00		NIST
Inp	1151.00		NIST
Inp	1144.00		NIST
Inp	1145.00		NIST
Inp	1150.00		NIST
Inp	1154.00		NIST
Inp	1156.00		NIST
Inp	1120.00		NIST
Inp	1134.00		NIST
Inp	1149.00		NIST
Inp	1150.00		NIST
Inp	1123.00		NIST
Inp	1123.00		NIST
Inp	1134.00		NIST
Inp	Outlier 192.24		NIST
Inp	Outlier 190.90		NIST
Inp	Outlier 191.20		NIST
Inp	Outlier 192.69		NIST
I	[2070.00; 2127.00]
I	2087.00		NIST
I	2078.00		NIST
I	2073.00		NIST
I	2090.00		NIST
I	2098.99		NIST
I	2094.74		NIST
I	2098.02		NIST
I	2098.97		NIST
I	2079.00		NIST
I	2070.00		NIST
I	2078.00		NIST
I	Outlier 2127.00		NIST
Tboil	484.13	K	KDB
Tc	[707.55; 818.15]	K
Tc	707.60	K	KDB
Tc	707.55 ± 0.30	K	NIST
Tc	818.15 ± 2.00	K	NIST
Tfus	[297.65; 297.68]	K
Tfus	297.68	K	KDB
Tfus	297.65	K	Aq. Sol...
Vc	0.342	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.69; 282.81]	J/mol×K	[494.72; 722.03]
Cp,gas	224.69	J/mol×K	494.72	Joback Calculated Property
Cp,gas	236.18	J/mol×K	532.60	Joback Calculated Property
Cp,gas	246.85	J/mol×K	570.49	Joback Calculated Property
Cp,gas	256.78	J/mol×K	608.37	Joback Calculated Property
Cp,gas	266.04	J/mol×K	646.26	Joback Calculated Property
Cp,gas	274.69	J/mol×K	684.14	Joback Calculated Property
Cp,gas	282.81	J/mol×K	722.03	Joback Calculated Property
η	[0.0000891; 0.0031710]	Pa×s	[330.58; 494.72]
η	0.0031710	Pa×s	330.58	Joback Calculated Property
η	0.0013928	Pa×s	357.94	Joback Calculated Property
η	0.0006876	Pa×s	385.29	Joback Calculated Property
η	0.0003727	Pa×s	412.65	Joback Calculated Property
η	0.0002180	Pa×s	440.01	Joback Calculated Property
η	0.0001358	Pa×s	467.36	Joback Calculated Property
η	0.0000891	Pa×s	494.72	Joback Calculated Property
ΔfusH	12.76	kJ/mol	297.30	NIST
ΔsubH	61.50 ± 0.80	kJ/mol	310.00	NIST
ΔvapH	[51.80; 65.90]	kJ/mol	[300.00; 457.50]
ΔvapH	65.90	kJ/mol	300.00	NIST
ΔvapH	65.90 ± 0.20	kJ/mol	300.00	NIST
ΔvapH	65.90 ± 0.20	kJ/mol	300.00	NIST
ΔvapH	51.80	kJ/mol	457.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[367.30; 511.94]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54387e+01
Coefficient B			-4.41754e+03
Coefficient C			-7.57380e+01
Temperature range, min.			367.30
Temperature range, max.			511.94
Pvap	1.33	kPa	367.30	Calculated Property
Pvap	2.94	kPa	383.37	Calculated Property
Pvap	6.00	kPa	399.44	Calculated Property
Pvap	11.44	kPa	415.51	Calculated Property
Pvap	20.58	kPa	431.58	Calculated Property
Pvap	35.20	kPa	447.66	Calculated Property
Pvap	57.57	kPa	463.73	Calculated Property
Pvap	90.54	kPa	479.80	Calculated Property
Pvap	137.55	kPa	495.87	Calculated Property
Pvap	202.64	kPa	511.94	Calculated Property
Pvap	[0.42; 4394.54]	kPa	[345.71; 707.65]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.35548e+02
Coefficient B			-1.25596e+04
Coefficient C			-1.72828e+01
Coefficient D			7.98314e-06
Temperature range, min.			345.71
Temperature range, max.			707.65
Pvap	0.42	kPa	345.71	Calculated Property
Pvap	3.53	kPa	385.93	Calculated Property
Pvap	17.83	kPa	426.14	Calculated Property
Pvap	63.47	kPa	466.36	Calculated Property
Pvap	176.15	kPa	506.57	Calculated Property
Pvap	408.60	kPa	546.79	Calculated Property
Pvap	832.02	kPa	587.00	Calculated Property
Pvap	1541.17	kPa	627.22	Calculated Property
Pvap	2666.26	kPa	667.43	Calculated Property
Pvap	4394.54	kPa	707.65	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,4-dimethyl-.

Mixtures

• Toluene + Phenol, 2,4-dimethyl- + Water

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Crippen Method
• Liquid-Liquid Equilibrium Measurements for Model Systems Related to Catalytic Fast Pyrolysis of Biomass
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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