Chemical Properties of 3-Tetradecanol (CAS 1653-32-3)

InChI

InChI=1S/C14H30O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h14-15H,3-13H2,1-2H3

InChI Key

CIZOCKPOEXXEHB-UHFFFAOYSA-N

Formula

C14H30O

SMILES

CCCCCCCCCCCC(O)CC

Molecular Weight¹

214.39

CAS

1653-32-3

• 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).
• I_np : Non-polar retention indices.
• I_p : 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	0.8446		Relay (1.0) Calculated Property
ΔfG°	-72.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-505.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.58	kJ/mol	Joback Calculated Property
ΔvapH°	97.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-5.07		Relay (1.0) Calculated Property
logPoct/wat	4.678		Crippen Calculated Property
McVol	213.990	ml/mol	McGowan Calculated Property
Pc	1649.77	kPa	Joback Calculated Property
Inp	[1699.00; 1699.00]
Inp	1699.00		NIST
Inp	1699.00		NIST
Ip	[1981.00; 2009.00]
Ip	2009.00		NIST
Ip	1981.00		NIST
Ip	1988.00		NIST
Ip	2009.00		NIST
Ip	1981.00		NIST
Tboil	548.30	K	Relay (1.0) Calculated Property
Tc	726.30	K	Relay (1.0) Calculated Property
Tfus	304.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.843	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[314.66; 760.81]	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			-6.22900e+00
Coefficient B			1.37374e+00
Coefficient C			-7.71400e-04
Coefficient D			1.64700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	314.66	J/mol×K	273.00	Calculated Property
Cp,gas	390.51	J/mol×K	353.78	Calculated Property
Cp,gas	458.58	J/mol×K	434.56	Calculated Property
Cp,gas	519.39	J/mol×K	515.33	Calculated Property
Cp,gas	573.44	J/mol×K	596.11	Calculated Property
Cp,gas	621.28	J/mol×K	676.89	Calculated Property
Cp,gas	663.41	J/mol×K	757.67	Calculated Property
Cp,gas	700.37	J/mol×K	838.44	Calculated Property
Cp,gas	732.66	J/mol×K	919.22	Calculated Property
Cp,gas	760.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0147502; 0.0001158]	Pa×s	[304.65; 540.27]	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			-1.53312e+01
Coefficient B			3.38609e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			304.65
Temperature range, max.			540.27
η	0.0147502	Pa×s	304.65	Calculated Property
η	0.0061209	Pa×s	330.83	Calculated Property
η	0.0028897	Pa×s	357.01	Calculated Property
η	0.0015116	Pa×s	383.19	Calculated Property
η	0.0008590	Pa×s	409.37	Calculated Property
η	0.0005225	Pa×s	435.55	Calculated Property
η	0.0003362	Pa×s	461.73	Calculated Property
η	0.0002269	Pa×s	487.91	Calculated Property
η	0.0001593	Pa×s	514.09	Calculated Property
η	0.0001158	Pa×s	540.27	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[432.72; 586.85]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62855e+01
Coefficient B			-5.38620e+03
Coefficient C			-9.60380e+01
Temperature range, min.			432.72
Temperature range, max.			586.85
Pvap	1.33	kPa	432.72	Calculated Property
Pvap	2.89	kPa	449.85	Calculated Property
Pvap	5.84	kPa	466.97	Calculated Property
Pvap	11.09	kPa	484.10	Calculated Property
Pvap	19.93	kPa	501.22	Calculated Property
Pvap	34.17	kPa	518.35	Calculated Property
Pvap	56.17	kPa	535.47	Calculated Property
Pvap	88.96	kPa	552.60	Calculated Property
Pvap	136.27	kPa	569.72	Calculated Property
Pvap	202.64	kPa	586.85	Calculated Property

Similar Compounds

Find more compounds similar to 3-Tetradecanol.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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