Chemical Properties of 13-Docosen-1-ol, (Z)- (CAS 629-98-1)

InChI

InChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h9-10,23H,2-8,11-22H2,1H3/b10-9-

InChI Key

CFOQKXQWGLAKSK-KTKRTIGZSA-N

Formula

C22H44O

SMILES

CCCCCCCCC=CCCCCCCCCCCCCO

Molecular Weight¹

324.58

CAS

629-98-1

Other Names

• (Z)-docos-13-enol
• DOCOSEN-(13)-OL-(1)
• cis-13-docosen-1-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).
• I_np : Non-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	1.1203		Relay (1.0) Calculated Property
ΔfG°	77.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-591.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.03	kJ/mol	Joback Calculated Property
ΔvapH°	137.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-7.70		Relay (1.0) Calculated Property
logPoct/wat	7.577		Crippen Calculated Property
McVol	322.410	ml/mol	McGowan Calculated Property
Pc	985.16	kPa	Joback Calculated Property
Inp	[2466.50; 2466.50]
Inp	2466.50		NIST
Inp	2466.50		NIST
Tboil	630.77	K	Relay (1.0) Calculated Property
Tc	813.17	K	Relay (1.0) Calculated Property
Tfus	314.97	K	Relay (1.0) Calculated Property
Vc	1.238	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[470.68; 1142.42]	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			-2.60010e+01
Coefficient B			2.14782e+00
Coefficient C			-1.28720e-03
Coefficient D			3.07800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	470.68	J/mol×K	273.00	Calculated Property
Cp,gas	586.37	J/mol×K	353.78	Calculated Property
Cp,gas	689.53	J/mol×K	434.56	Calculated Property
Cp,gas	781.13	J/mol×K	515.33	Calculated Property
Cp,gas	862.13	J/mol×K	596.11	Calculated Property
Cp,gas	933.53	J/mol×K	676.89	Calculated Property
Cp,gas	996.28	J/mol×K	757.67	Calculated Property
Cp,gas	1051.36	J/mol×K	838.44	Calculated Property
Cp,gas	1099.75	J/mol×K	919.22	Calculated Property
Cp,gas	1142.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022519; 0.0000273]	Pa×s	[393.44; 685.07]	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			-1.64604e+01
Coefficient B			4.07779e+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.			393.44
Temperature range, max.			685.07
η	0.0022519	Pa×s	393.44	Calculated Property
η	0.0010234	Pa×s	425.84	Calculated Property
η	0.0005200	Pa×s	458.25	Calculated Property
η	0.0002889	Pa×s	490.65	Calculated Property
η	0.0001726	Pa×s	523.05	Calculated Property
η	0.0001096	Pa×s	555.46	Calculated Property
η	0.0000731	Pa×s	587.86	Calculated Property
η	0.0000509	Pa×s	620.26	Calculated Property
η	0.0000367	Pa×s	652.67	Calculated Property
η	0.0000273	Pa×s	685.07	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[548.12; 736.75]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62563e+01
Coefficient B			-6.56216e+03
Coefficient C			-1.37182e+02
Temperature range, min.			548.12
Temperature range, max.			736.75
Pvap	1.33	kPa	548.12	Calculated Property
Pvap	2.89	kPa	569.08	Calculated Property
Pvap	5.85	kPa	590.04	Calculated Property
Pvap	11.10	kPa	611.00	Calculated Property
Pvap	19.95	kPa	631.96	Calculated Property
Pvap	34.20	kPa	652.91	Calculated Property
Pvap	56.22	kPa	673.87	Calculated Property
Pvap	89.01	kPa	694.83	Calculated Property
Pvap	136.33	kPa	715.79	Calculated Property
Pvap	202.66	kPa	736.75	Calculated Property

Similar Compounds

Find more compounds similar to 13-Docosen-1-ol, (Z)-.

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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