Chemical Properties of Dihydroconiferyl alcohol (CAS 2305-13-7)

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

CAS

2305-13-7

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)

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.8326		Relay (1.0) Calculated Property
ΔfG°	-260.34	kJ/mol	Joback Calculated Property
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
Pc	3727.11	kPa	Joback Calculated Property
Inp	[1597.00; 1660.60]
Inp	1660.60		NIST
Inp	1597.00		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	Outlier 2941.00		NIST
I	2970.00		NIST
Tboil	590.05	K	Relay (1.0) Calculated Property
Tc	815.36	K	Relay (1.0) Calculated Property
Tfus	338.95	K	Relay (1.0) Calculated Property
Vc	0.512	m3/kmol	Relay (1.0) Calculated Property

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 Dihydroconiferyl alcohol.

Sources

• Cheméo Relay (1.0)
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.