Chemical Properties of Octyl chloroformate (CAS 7452-59-7)

InChI

InChI=1S/C9H17ClO2/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3

InChI Key

VFXVAXFIFHSGNR-UHFFFAOYSA-N

Formula

C9H17ClO2

SMILES

CCCCCCCCOC(=O)Cl

Molecular Weight¹

192.68

CAS

7452-59-7

Other Names

• n-Octyl chloroformate
• Carbonochloridic acid, octyl ester
• Octyl chloridocarbonate

• 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.
• 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	0.6262		Relay (1.0) Calculated Property
ΔfH°gas	-561.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.05	kJ/mol	Joback Calculated Property
ΔvapH°	56.01	kJ/mol	Relay (1.0) Calculated Property
IE	10.38	eV	Relay (1.0) Calculated Property
log10WS	-4.46		Relay (1.0) Calculated Property
logPoct/wat	3.722		Crippen Calculated Property
McVol	157.350	ml/mol	McGowan Calculated Property
Pc	2327.03	kPa	Joback Calculated Property
Inp	[1257.00; 1257.00]
Inp	1257.00		NIST
Inp	1257.00		NIST
Tboil	482.20	K	Relay (1.0) Calculated Property
Tc	641.27	K	Relay (1.0) Calculated Property
Tfus	212.12	K	Relay (1.0) Calculated Property
Vc	0.605	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	[352.11; 421.32]	J/mol×K	[519.04; 698.13]
Cp,gas	352.11	J/mol×K	519.04	Joback Calculated Property
Cp,gas	364.91	J/mol×K	548.89	Joback Calculated Property
Cp,gas	377.20	J/mol×K	578.74	Joback Calculated Property
Cp,gas	388.97	J/mol×K	608.58	Joback Calculated Property
Cp,gas	400.25	J/mol×K	638.43	Joback Calculated Property
Cp,gas	411.03	J/mol×K	668.28	Joback Calculated Property
Cp,gas	421.32	J/mol×K	698.13	Joback Calculated Property
η	[0.0002406; 0.0029830]	Pa×s	[293.27; 519.04]
η	0.0029830	Pa×s	293.27	Joback Calculated Property
η	0.0015445	Pa×s	330.90	Joback Calculated Property
η	0.0009148	Pa×s	368.53	Joback Calculated Property
η	0.0005970	Pa×s	406.15	Joback Calculated Property
η	0.0004189	Pa×s	443.78	Joback Calculated Property
η	0.0003106	Pa×s	481.41	Joback Calculated Property
η	0.0002406	Pa×s	519.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octyl chloroformate.

Sources

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

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