Chemical Properties of cis-10,11-epoxyhenicosane

InChI

InChI=1S/C21H42O/c1-3-5-7-9-11-13-15-17-19-21-20(22-21)18-16-14-12-10-8-6-4-2/h20-21H,3-19H2,1-2H3/t20-,21+/m0/s1

InChI Key

KHCQOAYMJGDULQ-RTWAWAEBSA-N

Formula

C21H42O

SMILES

CCCCCCCCCC[C@H]1O[C@H]1CCCCCCCCC

Molecular Weight¹

310.57

• 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 : 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	0.8638		Relay (1.0) Calculated Property
ΔfG°	92.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-498.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.33	kJ/mol	Joback Calculated Property
ΔvapH°	101.63	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	Relay (1.0) Calculated Property
log10WS	-7.63		Relay (1.0) Calculated Property
logPoct/wat	7.425		Crippen Calculated Property
McVol	301.760	ml/mol	McGowan Calculated Property
Pc	1010.37	kPa	Joback Calculated Property
I	[2484.00; 2484.00]
I	2484.00		NIST
I	2484.00		NIST
Tboil	603.29	K	Relay (1.0) Calculated Property
Tc	803.99	K	Relay (1.0) Calculated Property
Tfus	313.28	K	Relay (1.0) Calculated Property
Vc	1.233	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[447.15; 1108.66]	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			-4.31830e+01
Coefficient B			2.12024e+00
Coefficient C			-1.26950e-03
Coefficient D			3.01100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	447.15	J/mol×K	273.00	Calculated Property
Cp,gas	561.35	J/mol×K	353.78	Calculated Property
Cp,gas	663.16	J/mol×K	434.56	Calculated Property
Cp,gas	753.52	J/mol×K	515.33	Calculated Property
Cp,gas	833.38	J/mol×K	596.11	Calculated Property
Cp,gas	903.71	J/mol×K	676.89	Calculated Property
Cp,gas	965.45	J/mol×K	757.67	Calculated Property
Cp,gas	1019.55	J/mol×K	838.44	Calculated Property
Cp,gas	1066.97	J/mol×K	919.22	Calculated Property
Cp,gas	1108.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025794; 0.0003751]	Pa×s	[366.70; 615.05]	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			-1.07356e+01
Coefficient B			1.75114e+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.			366.70
Temperature range, max.			615.05
η	0.0025794	Pa×s	366.70	Calculated Property
η	0.0018466	Pa×s	394.29	Calculated Property
η	0.0013811	Pa×s	421.89	Calculated Property
η	0.0010704	Pa×s	449.48	Calculated Property
η	0.0008545	Pa×s	477.08	Calculated Property
η	0.0006991	Pa×s	504.67	Calculated Property
η	0.0005840	Pa×s	532.26	Calculated Property
η	0.0004966	Pa×s	559.86	Calculated Property
η	0.0004287	Pa×s	587.45	Calculated Property
η	0.0003751	Pa×s	615.05	Calculated Property

Similar Compounds

Find more compounds similar to cis-10,11-epoxyhenicosane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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