Chemical Properties of Octanoyl chloride (CAS 111-64-8)

InChI

InChI=1S/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3

InChI Key

REEZZSHJLXOIHL-UHFFFAOYSA-N

Formula

C8H15ClO

SMILES

CCCCCCCC(=O)Cl

Molecular Weight¹

162.66

CAS

111-64-8

Other Names

• Caprylic acid chloride
• Capryloyl chloride
• Caprylyl chloride
• n-Octanoyl chloride

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.5246		Relay (1.0) Calculated Property
ΔfG°	-124.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-371.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.27	kJ/mol	Joback Calculated Property
ΔvapH°	50.10	kJ/mol	Relay (1.0) Calculated Property
IE	9.97	eV	Relay (1.0) Calculated Property
log10WS	-3.69		Relay (1.0) Calculated Property
logPoct/wat	3.112		Crippen Calculated Property
McVol	137.390	ml/mol	McGowan Calculated Property
Pc	2603.08	kPa	Joback Calculated Property
Inp	[1113.70; 1113.70]
Inp	1113.70		NIST
Inp	1113.70		NIST
Tboil	468.80	K	NIST
Tc	647.50	K	Relay (1.0) Calculated Property
Tfus	210.40 ± 1.00	K	NIST
Vc	0.520	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.52; 429.35]	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			1.58660e+01
Coefficient B			7.42620e-01
Coefficient C			-4.13100e-04
Coefficient D			8.39600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.52	J/mol×K	273.00	Calculated Property
Cp,gas	230.60	J/mol×K	353.78	Calculated Property
Cp,gas	267.46	J/mol×K	434.56	Calculated Property
Cp,gas	300.35	J/mol×K	515.33	Calculated Property
Cp,gas	329.54	J/mol×K	596.11	Calculated Property
Cp,gas	355.30	J/mol×K	676.89	Calculated Property
Cp,gas	377.90	J/mol×K	757.67	Calculated Property
Cp,gas	397.59	J/mol×K	838.44	Calculated Property
Cp,gas	414.65	J/mol×K	919.22	Calculated Property
Cp,gas	429.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0158075; 0.0003492]	Pa×s	[210.40; 458.95]	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			-1.11873e+01
Coefficient B			1.48123e+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.			210.40
Temperature range, max.			458.95
η	0.0158075	Pa×s	210.40	Calculated Property
η	0.0069841	Pa×s	238.02	Calculated Property
η	0.0036570	Pa×s	265.63	Calculated Property
η	0.0021630	Pa×s	293.25	Calculated Property
η	0.0014004	Pa×s	320.87	Calculated Property
η	0.0009713	Pa×s	348.48	Calculated Property
η	0.0007109	Pa×s	376.10	Calculated Property
η	0.0005430	Pa×s	403.72	Calculated Property
η	0.0004293	Pa×s	431.33	Calculated Property
η	0.0003492	Pa×s	458.95	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[352.72; 546.84]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.08095e+01
Coefficient B			-2.23534e+03
Coefficient C			-1.40275e+02
Temperature range, min.			352.72
Temperature range, max.			546.84
Pvap	1.33	kPa	352.72	Calculated Property
Pvap	3.52	kPa	374.29	Calculated Property
Pvap	7.87	kPa	395.86	Calculated Property
Pvap	15.55	kPa	417.43	Calculated Property
Pvap	27.84	kPa	439.00	Calculated Property
Pvap	46.08	kPa	460.56	Calculated Property
Pvap	71.58	kPa	482.13	Calculated Property
Pvap	105.51	kPa	503.70	Calculated Property
Pvap	148.92	kPa	525.27	Calculated Property
Pvap	202.64	kPa	546.84	Calculated Property

Similar Compounds

Find more compounds similar to Octanoyl chloride.

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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