Chemical Properties of Carbonochloridic acid, ethyl ester (CAS 541-41-3)

InChI

InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3

InChI Key

RIFGWPKJUGCATF-UHFFFAOYSA-N

Formula

C3H5ClO2

SMILES

CCOC(=O)Cl

Molecular Weight¹

108.52

CAS

541-41-3

Other Names

• Cathyl chloride
• Chlorocarbonate d'ethyle
• Chlorocarbonic acid, ethyl ester
• Chloroformic acid, ethyl ester
• Clhorameisensaeureaethylester
• ECF
• Ethoxycarbonyl chloride
• Ethyl carbonochloridate
• Ethyl chlorocarbonate
• Ethyl chloroformate
• Ethylchloorformiaat
• Ethyle, chloroformiat d'
• Ethylester kyseliny chlormravenci
• Etil clorocarbonato
• Etil cloroformiato
• Formic acid, chloro-, ethyl ester
• TL 423
• UN 1182
• carbonchloridic acid ethyl ester

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• 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	0.3441		Relay (1.0) Calculated Property
PAff	764.80	kJ/mol	NIST
BasG	733.80	kJ/mol	NIST
ΔcH°liquid	-1370.00 ± 4.00	kJ/mol	NIST
ΔfG°	-347.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-459.40 ± 1.70	kJ/mol	NIST
ΔfH°liquid	-497.30 ± 1.70	kJ/mol	NIST
ΔfusH°	12.09	kJ/mol	Joback Calculated Property
ΔvapH°	[37.80; 37.86]	kJ/mol
ΔvapH°	37.86 ± 0.29	kJ/mol	NIST
ΔvapH°	37.80 ± 0.20	kJ/mol	NIST
IE	10.87	eV	Relay (1.0) Calculated Property
log10WS	-1.35		Relay (1.0) Calculated Property
logPoct/wat	1.382		Crippen Calculated Property
McVol	72.810	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Safety	1		KDB
Pc	4227.54	kPa	Joback Calculated Property
Inp	[640.00; 640.00]
Inp	640.00		NIST
Inp	640.00		NIST
Inp	640.00		NIST
Tboil	366.20	K	NIST
Tc	[508.00; 508.15]	K
Tc	508.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value
Tc	508.15 ± 10.00	K	NIST
Tfus	192.35	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.275	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[98.87; 190.48]	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			3.84610e+01
Coefficient B			2.40820e-01
Coefficient C			-6.52000e-05
Coefficient D			-2.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	98.87	J/mol×K	273.00	Calculated Property
Cp,gas	114.45	J/mol×K	353.78	Calculated Property
Cp,gas	128.86	J/mol×K	434.56	Calculated Property
Cp,gas	142.02	J/mol×K	515.33	Calculated Property
Cp,gas	153.85	J/mol×K	596.11	Calculated Property
Cp,gas	164.28	J/mol×K	676.89	Calculated Property
Cp,gas	173.23	J/mol×K	757.67	Calculated Property
Cp,gas	180.63	J/mol×K	838.44	Calculated Property
Cp,gas	186.41	J/mol×K	919.22	Calculated Property
Cp,gas	190.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0054412; 0.0003462]	Pa×s	[192.35; 355.65]	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			-1.12130e+01
Coefficient B			1.15396e+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.			192.35
Temperature range, max.			355.65
η	0.0054412	Pa×s	192.35	Calculated Property
η	0.0032442	Pa×s	210.49	Calculated Property
η	0.0020997	Pa×s	228.64	Calculated Property
η	0.0014488	Pa×s	246.78	Calculated Property
η	0.0010518	Pa×s	264.93	Calculated Property
η	0.0007955	Pa×s	283.07	Calculated Property
η	0.0006223	Pa×s	301.22	Calculated Property
η	0.0005006	Pa×s	319.36	Calculated Property
η	0.0004122	Pa×s	337.51	Calculated Property
η	0.0003462	Pa×s	355.65	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 4434.58]	kPa	[284.84; 508.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.65113e+01
Coefficient B			-3.62502e+03
Coefficient C			-6.13970e+01
Temperature range, min.			284.84
Temperature range, max.			508.15
Pvap	1.33	kPa	284.84	Calculated Property
Pvap	6.75	kPa	309.65	Calculated Property
Pvap	25.44	kPa	334.46	Calculated Property
Pvap	76.86	kPa	359.28	Calculated Property
Pvap	195.91	kPa	384.09	Calculated Property
Pvap	436.92	kPa	408.90	Calculated Property
Pvap	875.62	kPa	433.71	Calculated Property
Pvap	1608.82	kPa	458.53	Calculated Property
Pvap	2751.87	kPa	483.34	Calculated Property
Pvap	4434.58	kPa	508.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.02]	N/m	[192.15; 366.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			5.85095e-02
Coefficient B			-1.08400e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			192.15
Temperature range, max.			366.15
γ	0.04	N/m	192.15	Calculated Property
γ	0.04	N/m	211.48	Calculated Property
γ	0.03	N/m	230.82	Calculated Property
γ	0.03	N/m	250.15	Calculated Property
γ	0.03	N/m	269.48	Calculated Property
γ	0.03	N/m	288.82	Calculated Property
γ	0.03	N/m	308.15	Calculated Property
γ	0.02	N/m	327.48	Calculated Property
γ	0.02	N/m	346.82	Calculated Property
γ	0.02	N/m	366.15	Calculated Property

Similar Compounds

Find more compounds similar to Carbonochloridic acid, ethyl ester.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 ChEDL chemicals 1.5.2, from Ambrose, D.; Tsonopoulos, C.; Nikitin, E. D. Vapor-Liquid Critical Properties of Elements and Compounds. 11. Organic Compounds Containing B + O; Halogens + N, + O, + O + S, + S, + Si; N + O; and O + S, + Si. J. Chem. Eng. Data 2009, 54, 669-689.
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.