Chemical Properties of 2-Undecanol, acetate (CAS 14936-67-5)

InChI

InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-11-12(2)15-13(3)14/h12H,4-11H2,1-3H3

InChI Key

HABRKYMFOVMIBP-UHFFFAOYSA-N

Formula

C13H26O2

SMILES

CCCCCCCCCC(C)OC(C)=O

Molecular Weight¹

214.34

CAS

14936-67-5

Other Names

• 1-methyldecyl acetate

• 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	0.6793		Relay (1.0) Calculated Property
ΔfG°	-177.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-661.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.69	kJ/mol	Joback Calculated Property
ΔvapH°	71.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-4.36		Relay (1.0) Calculated Property
logPoct/wat	4.079		Crippen Calculated Property
McVol	201.470	ml/mol	McGowan Calculated Property
Pc	1718.88	kPa	Joback Calculated Property
Inp	[1416.00; 1433.20]
Inp	1433.20		NIST
Inp	1416.00		NIST
Inp	1416.00		NIST
Inp	1433.20		NIST
Tboil	503.57	K	Relay (1.0) Calculated Property
Tc	679.43	K	Relay (1.0) Calculated Property
Tfus	252.19	K	Relay (1.0) Calculated Property
Vc	0.775	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[515.10; 605.00]	J/mol×K	[572.69; 744.36]
Cp,gas	515.10	J/mol×K	572.69	Joback Calculated Property
Cp,gas	531.74	J/mol×K	601.30	Joback Calculated Property
Cp,gas	547.70	J/mol×K	629.91	Joback Calculated Property
Cp,gas	563.00	J/mol×K	658.53	Joback Calculated Property
Cp,gas	577.64	J/mol×K	687.14	Joback Calculated Property
Cp,gas	591.64	J/mol×K	715.75	Joback Calculated Property
Cp,gas	605.00	J/mol×K	744.36	Joback Calculated Property
η	[0.0001594; 0.0040106]	Pa×s	[293.43; 572.69]
η	0.0040106	Pa×s	293.43	Joback Calculated Property
η	0.0016218	Pa×s	339.97	Joback Calculated Property
η	0.0008156	Pa×s	386.52	Joback Calculated Property
η	0.0004755	Pa×s	433.06	Joback Calculated Property
η	0.0003078	Pa×s	479.60	Joback Calculated Property
η	0.0002152	Pa×s	526.15	Joback Calculated Property
η	0.0001594	Pa×s	572.69	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[411.32; 554.59]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.65426e+01
Coefficient B			-5.20625e+03
Coefficient C			-9.10340e+01
Temperature range, min.			411.32
Temperature range, max.			554.59
Pvap	1.33	kPa	411.32	Calculated Property
Pvap	2.88	kPa	427.24	Calculated Property
Pvap	5.80	kPa	443.16	Calculated Property
Pvap	10.99	kPa	459.08	Calculated Property
Pvap	19.75	kPa	475.00	Calculated Property
Pvap	33.89	kPa	490.91	Calculated Property
Pvap	55.79	kPa	506.83	Calculated Property
Pvap	88.52	kPa	522.75	Calculated Property
Pvap	135.92	kPa	538.67	Calculated Property
Pvap	202.65	kPa	554.59	Calculated Property

Similar Compounds

Find more compounds similar to 2-Undecanol, acetate.

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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