Chemical Properties of 3-chloroheptyl chloroacetate

InChI

InChI=1S/C9H16Cl2O2/c1-2-3-4-8(11)5-6-13-9(12)7-10/h8H,2-7H2,1H3

InChI Key

KKOHHNSWMLTJHQ-UHFFFAOYSA-N

Formula

C9H16Cl2O2

SMILES

CCCCC(Cl)CCOC(=O)CCl

Molecular Weight¹

227.13

Other Names

• 1-Heptanol, 3-chloro, chloroacetate

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-584.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.31	kJ/mol	Joback Calculated Property
ΔvapH°	63.45	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.35		Relay (1.0) Calculated Property
logPoct/wat	2.956		Crippen Calculated Property
McVol	169.590	ml/mol	McGowan Calculated Property
Inp	[1458.00; 1462.00]
Inp	1460.00		NIST
Inp	1462.00		NIST
Inp	1458.00		NIST
Inp	1460.00		NIST
I	[2122.00; 2140.00]
I	2122.00		NIST
I	2134.00		NIST
I	2140.00		NIST
Tboil	526.13	K	Relay (1.0) Calculated Property
Tc	722.53	K	Relay (1.0) Calculated Property
Tfus	242.85	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[375.93; 443.91]	J/mol×K	[538.16; 723.16]
Cp,gas	375.93	J/mol×K	538.16	Joback Calculated Property
Cp,gas	388.74	J/mol×K	568.99	Joback Calculated Property
Cp,gas	400.95	J/mol×K	599.83	Joback Calculated Property
Cp,gas	412.56	J/mol×K	630.66	Joback Calculated Property
Cp,gas	423.59	J/mol×K	661.49	Joback Calculated Property
Cp,gas	434.03	J/mol×K	692.33	Joback Calculated Property
Cp,gas	443.91	J/mol×K	723.16	Joback Calculated Property
η	[0.0002007; 0.0056847]	Pa×s	[278.36; 538.16]
η	0.0056847	Pa×s	278.36	Joback Calculated Property
η	0.0022375	Pa×s	321.66	Joback Calculated Property
η	0.0010988	Pa×s	364.96	Joback Calculated Property
η	0.0006275	Pa×s	408.26	Joback Calculated Property
η	0.0003989	Pa×s	451.56	Joback Calculated Property
η	0.0002746	Pa×s	494.86	Joback Calculated Property
η	0.0002007	Pa×s	538.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-chloroheptyl chloroacetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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