Chemical Properties of 1-Octanol, 4-chloro, acetate

InChI

InChI=1S/C10H19ClO2/c1-3-4-6-10(11)7-5-8-13-9(2)12/h10H,3-8H2,1-2H3

InChI Key

OGGYXTBFASQZAF-UHFFFAOYSA-N

Formula

C10H19ClO2

SMILES

CCCCC(Cl)CCCOC(C)=O

Molecular Weight¹

206.71

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_np : Non-polar retention indices.
• 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	0.5914		Relay (1.0) Calculated Property
ΔfH°gas	-616.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.70	kJ/mol	Joback Calculated Property
ΔvapH°	67.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-3.26		Relay (1.0) Calculated Property
logPoct/wat	3.127		Crippen Calculated Property
McVol	171.440	ml/mol	McGowan Calculated Property
Pc	2062.36	kPa	Joback Calculated Property
Inp	[1342.00; 1375.00]
Inp	1355.00		NIST
Inp	1342.00		NIST
Inp	1355.00		NIST
Inp	1342.00		NIST
Inp	1369.00		NIST
Inp	1373.00		NIST
Inp	1373.00		NIST
Inp	1375.00		NIST
I	[1845.00; 1856.00]
I	1845.00		NIST
I	1850.00		NIST
I	1856.00		NIST
Tboil	510.37	K	Relay (1.0) Calculated Property
Tc	689.21	K	Relay (1.0) Calculated Property
Tfus	234.18	K	Relay (1.0) Calculated Property
Vc	0.638	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[393.15; 469.49]	J/mol×K	[523.61; 701.79]
Cp,gas	393.15	J/mol×K	523.61	Joback Calculated Property
Cp,gas	407.39	J/mol×K	553.31	Joback Calculated Property
Cp,gas	421.01	J/mol×K	583.00	Joback Calculated Property
Cp,gas	434.03	J/mol×K	612.70	Joback Calculated Property
Cp,gas	446.44	J/mol×K	642.40	Joback Calculated Property
Cp,gas	458.26	J/mol×K	672.10	Joback Calculated Property
Cp,gas	469.49	J/mol×K	701.79	Joback Calculated Property
η	[0.0001915; 0.0069510]	Pa×s	[259.71; 523.61]
η	0.0069510	Pa×s	259.71	Joback Calculated Property
η	0.0024762	Pa×s	303.69	Joback Calculated Property
η	0.0011454	Pa×s	347.68	Joback Calculated Property
η	0.0006299	Pa×s	391.66	Joback Calculated Property
η	0.0003909	Pa×s	435.64	Joback Calculated Property
η	0.0002648	Pa×s	479.63	Joback Calculated Property
η	0.0001915	Pa×s	523.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Octanol, 4-chloro, acetate.

Sources

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

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