Chemical Properties of Dihydroconiferol

InChI

InChI=1S/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3

InChI Key

MWOMNLDJNQWJMK-UHFFFAOYSA-N

Formula

C10H14O3

SMILES

COc1cc(CCCO)ccc1O

Molecular Weight¹

182.22

Other Names

• guaiacyl propanol
• 3-(4-hydroxy-3-methoxyphenyl)-propan-1-ol
• 3-(4-guaiacyl)propanol
• 3-(4-hydroxy-3-methoxy-phenyl)-1-propanol
• 1-Propanol, 3-(4-hydroxy-3-methoxyphenyl)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-442.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.37	kJ/mol	Joback Calculated Property
ΔvapH°	101.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.24	eV	Relay (1.0) Calculated Property
log10WS	-1.27		Relay (1.0) Calculated Property
logPoct/wat	1.326		Crippen Calculated Property
McVol	145.610	ml/mol	McGowan Calculated Property
Inp	[1597.00; 1660.60]
Inp	1660.60		NIST
Inp	1597.00		NIST
Inp	1660.60		NIST
I	[2941.00; 2980.00]
I	2980.00		NIST
I	2980.00		NIST
I	2969.00		NIST
I	2969.00		NIST
I	2970.00		NIST
I	2941.00		NIST
I	2970.00		NIST
I	2970.00		NIST
I	2980.00		NIST
I	2941.00		NIST
Tboil	590.05	K	Relay (1.0) Calculated Property
Tfus	338.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[384.34; 441.25]	J/mol×K	[655.08; 857.18]
Cp,gas	384.34	J/mol×K	655.08	Joback Calculated Property
Cp,gas	395.11	J/mol×K	688.76	Joback Calculated Property
Cp,gas	405.31	J/mol×K	722.45	Joback Calculated Property
Cp,gas	414.98	J/mol×K	756.13	Joback Calculated Property
Cp,gas	424.16	J/mol×K	789.81	Joback Calculated Property
Cp,gas	432.90	J/mol×K	823.50	Joback Calculated Property
Cp,gas	441.25	J/mol×K	857.18	Joback Calculated Property
η	[0.0000067; 0.0004872]	Pa×s	[436.17; 655.08]
η	0.0004872	Pa×s	436.17	Joback Calculated Property
η	0.0001812	Pa×s	472.66	Joback Calculated Property
η	0.0000777	Pa×s	509.14	Joback Calculated Property
η	0.0000373	Pa×s	545.62	Joback Calculated Property
η	0.0000196	Pa×s	582.11	Joback Calculated Property
η	0.0000111	Pa×s	618.60	Joback Calculated Property
η	0.0000067	Pa×s	655.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dihydroconiferol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.