Chemical Properties of 2,5-Dimethoxy-p-cymene (CAS 14753-08-3)

InChI

InChI=1S/C12H18O2/c1-8(2)10-7-11(13-4)9(3)6-12(10)14-5/h6-8H,1-5H3

InChI Key

VTRMVHBUTNPBTP-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

COc1cc(C(C)C)c(OC)cc1C

Molecular Weight¹

194.27

CAS

14753-08-3

Other Names

• Thymohydroquinone dimethyl ether
• p-2,5-Dimethoxycymene
• 2,5-Dimethoxycymene
• Thymohydroquinone methyl ether
• p-Cymene, 2,5-dimethoxy
• 2,5-Dimethoxy-4-isopropyltoluene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (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
ΔfG°	-78.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-358.61	kJ/mol	Joback Calculated Property
ΔfusH°	18.56	kJ/mol	Joback Calculated Property
ΔvapH°	51.00	kJ/mol	Joback Calculated Property
log10WS	-3.37		Crippen Calculated Property
logPoct/wat	3.136		Crippen Calculated Property
McVol	167.920	ml/mol	McGowan Calculated Property
Pc	2246.13	kPa	Joback Calculated Property
Inp	[1399.00; 1430.00]
Inp	1423.00		NIST
Inp	1415.00		NIST
Inp	Outlier 1399.00		NIST
Inp	1417.00		NIST
Inp	1422.00		NIST
Inp	1424.00		NIST
Inp	1418.20		NIST
Inp	1430.00		NIST
Inp	1421.50		NIST
Inp	1424.00		NIST
Inp	1421.00		NIST
Inp	1407.00		NIST
Inp	1420.00		NIST
Inp	1425.00		NIST
Inp	1415.00		NIST
Inp	1423.00		NIST
Inp	1430.00		NIST
Inp	1420.00		NIST
Inp	1415.00		NIST
I	[1852.00; 1918.00]
I	1852.00		NIST
I	1873.00		NIST
I	1885.00		NIST
I	Outlier 1918.00		NIST
I	1866.00		NIST
I	1878.00		NIST
I	1878.00		NIST
I	1878.00		NIST
I	1878.00		NIST
I	1885.00		NIST
I	1852.00		NIST
Tboil	559.98	K	Joback Calculated Property
Tc	763.30	K	Joback Calculated Property
Tfus	318.44	K	Joback Calculated Property
Vc	0.629	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[399.02; 482.66]	J/mol×K	[559.98; 763.30]
Cp,gas	399.02	J/mol×K	559.98	Joback Calculated Property
Cp,gas	414.65	J/mol×K	593.87	Joback Calculated Property
Cp,gas	429.61	J/mol×K	627.75	Joback Calculated Property
Cp,gas	443.90	J/mol×K	661.64	Joback Calculated Property
Cp,gas	457.51	J/mol×K	695.53	Joback Calculated Property
Cp,gas	470.43	J/mol×K	729.41	Joback Calculated Property
Cp,gas	482.66	J/mol×K	763.30	Joback Calculated Property
η	[0.0001224; 0.0010723]	Pa×s	[318.44; 559.98]
η	0.0010723	Pa×s	318.44	Joback Calculated Property
η	0.0006097	Pa×s	358.70	Joback Calculated Property
η	0.0003885	Pa×s	398.95	Joback Calculated Property
η	0.0002689	Pa×s	439.21	Joback Calculated Property
η	0.0001979	Pa×s	479.47	Joback Calculated Property
η	0.0001528	Pa×s	519.72	Joback Calculated Property
η	0.0001224	Pa×s	559.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dimethoxy-p-cymene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.