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

InChI

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

InChI Key

FBXOZYBVABCPSH-UHFFFAOYSA-N

Formula

C10H19ClO2

SMILES

CCCCCCCC(Cl)OC(C)=O

Molecular Weight¹

206.71

• 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
ΔfH°gas	-639.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.70	kJ/mol	Joback Calculated Property
ΔvapH°	68.55	kJ/mol	Relay (1.0) Calculated Property
IE	10.03	eV	Relay (1.0) Calculated Property
log10WS	-4.08		Relay (1.0) Calculated Property
logPoct/wat	3.475		Crippen Calculated Property
McVol	171.440	ml/mol	McGowan Calculated Property
Pc	2062.36	kPa	Joback Calculated Property
Inp	[1287.00; 1315.00]
Inp	1306.00		NIST
Inp	1287.00		NIST
Inp	1306.00		NIST
Inp	1287.00		NIST
Inp	1312.00		NIST
Inp	1314.00		NIST
Inp	1315.00		NIST
Inp	1310.00		NIST
Inp	1306.00		NIST
Inp	1314.00		NIST
I	[1658.00; 1711.00]
I	1659.00		NIST
I	1658.00		NIST
I	1702.00		NIST
I	1704.00		NIST
I	1711.00		NIST
I	1659.00		NIST
Tboil	491.24	K	Relay (1.0) Calculated Property
Tc	682.09	K	Relay (1.0) Calculated Property
Tfus	241.58	K	Relay (1.0) Calculated Property
Vc	0.657	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them 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, 1-chloro, acetate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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