Chemical Properties of 4-Decanol (CAS 2051-31-2)

InChI

InChI=1S/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3

InChI Key

DTDMYWXTWWFLGJ-UHFFFAOYSA-N

Formula

C10H22O

SMILES

CCCCCCC(O)CCC

Molecular Weight¹

158.28

CAS

2051-31-2

Other Names

• 1-Propylheptyl alcohol
• Decanol-4
• decan-4-ol

• 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).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• 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	0.6990		Relay (1.0) Calculated Property
ΔfG°	-105.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-419.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.22	kJ/mol	Joback Calculated Property
ΔvapH°	77.38	kJ/mol	Relay (1.0) Calculated Property
IE	9.70	eV	Relay (1.0) Calculated Property
log10WS	-3.06		Relay (1.0) Calculated Property
logPoct/wat	3.118		Crippen Calculated Property
McVol	157.630	ml/mol	McGowan Calculated Property
Pc	2315.84	kPa	Joback Calculated Property
ρc	[245.34; 245.34]	kg/m3
ρc	245.34	kg/m3	NIST
ρc	245.34 ± 6.33	kg/m3	NIST
Inp	[1182.00; 1182.00]
Inp	1182.00		NIST
Inp	1182.00		NIST
I	[1544.00; 1581.00]
I	1545.00		NIST
I	1544.00		NIST
I	1581.00		NIST
I	1574.00		NIST
I	1545.00		NIST
I	1574.00		NIST
I	1581.00		NIST
Tboil	483.70	K	NIST
Tc	[633.72; 664.00]	K
Tc	664.00 ± 1.00	K	NIST
Tc	663.70	K	NIST
Tc	633.72 ± 0.30	K	NIST
Tfus	266.78	K	Relay (1.0) Calculated Property
Vc	0.643	m3/kmol	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[229.81; 554.45]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.59300e+00
Coefficient B			9.93740e-01
Coefficient C			-5.53800e-04
Coefficient D			1.17100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.81	J/mol×K	273.00	Calculated Property
Cp,gas	284.84	J/mol×K	353.78	Calculated Property
Cp,gas	334.27	J/mol×K	434.56	Calculated Property
Cp,gas	378.47	J/mol×K	515.33	Calculated Property
Cp,gas	417.80	J/mol×K	596.11	Calculated Property
Cp,gas	452.64	J/mol×K	676.89	Calculated Property
Cp,gas	483.35	J/mol×K	757.67	Calculated Property
Cp,gas	510.31	J/mol×K	838.44	Calculated Property
Cp,gas	533.88	J/mol×K	919.22	Calculated Property
Cp,gas	554.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0660457; 0.0002579]	Pa×s	[248.28; 457.66]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.48386e+01
Coefficient B			3.00945e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			248.28
Temperature range, max.			457.66
η	0.0660457	Pa×s	248.28	Calculated Property
η	0.0233792	Pa×s	271.54	Calculated Property
η	0.0097499	Pa×s	294.81	Calculated Property
η	0.0046210	Pa×s	318.07	Calculated Property
η	0.0024248	Pa×s	341.34	Calculated Property
η	0.0013815	Pa×s	364.60	Calculated Property
η	0.0008420	Pa×s	387.87	Calculated Property
η	0.0005428	Pa×s	411.13	Calculated Property
η	0.0003668	Pa×s	434.40	Calculated Property
η	0.0002579	Pa×s	457.66	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[373.52; 509.37]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.63336e+01
Coefficient B			-4.78259e+03
Coefficient C			-7.54660e+01
Temperature range, min.			373.52
Temperature range, max.			509.37
Pvap	1.33	kPa	373.52	Calculated Property
Pvap	2.89	kPa	388.61	Calculated Property
Pvap	5.83	kPa	403.71	Calculated Property
Pvap	11.07	kPa	418.80	Calculated Property
Pvap	19.90	kPa	433.90	Calculated Property
Pvap	34.12	kPa	448.99	Calculated Property
Pvap	56.10	kPa	464.09	Calculated Property
Pvap	88.87	kPa	479.18	Calculated Property
Pvap	136.20	kPa	494.28	Calculated Property
Pvap	202.63	kPa	509.37	Calculated Property

Similar Compounds

Find more compounds similar to 4-Decanol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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