Chemical Properties of Carbamic acid, phenyl-, propyl ester

InChI

InChI=1S/C10H13NO2/c1-2-8-13-10(12)11-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)

InChI Key

QDZXCXBFZLLQFT-UHFFFAOYSA-N

Formula

C10H13NO2

SMILES

CCCOC(=O)Nc1ccccc1

Molecular Weight¹

179.22

Other Names

• Carbanilic acid, propyl ester
• Propyl carbanilate
• Propyl phenylcarbamate
• Propyl phenylurethane
• Propyl N-phenylcarbamate
• Carbanilic acid, n-propyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	0.6133		Relay (1.0) Calculated Property
ΔfH°gas	-331.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.17	kJ/mol	Joback Calculated Property
ΔvapH°	74.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.34	eV	Relay (1.0) Calculated Property
log10WS	-2.94		Relay (1.0) Calculated Property
logPoct/wat	2.645		Crippen Calculated Property
McVol	145.420	ml/mol	McGowan Calculated Property
Pc	2989.32	kPa	Joback Calculated Property
Inp	[1483.00; 1514.00]
Inp	1491.00		NIST
Inp	1491.00		NIST
Inp	1493.00		NIST
Inp	1490.00		NIST
Inp	1483.00		NIST
Inp	1503.00		NIST
Inp	Outlier 1514.00		NIST
Inp	1483.00		NIST
I	[2113.00; 2113.00]
I	2113.00		NIST
I	2113.00		NIST
Tboil	547.26	K	Relay (1.0) Calculated Property
Tc	774.50	K	Relay (1.0) Calculated Property
Tfus	331.00 ± 1.00	K	NIST
Vc	0.529	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	[344.19; 415.22]	J/mol×K	[563.47; 773.80]
Cp,gas	344.19	J/mol×K	563.47	Joback Calculated Property
Cp,gas	358.10	J/mol×K	598.53	Joback Calculated Property
Cp,gas	371.15	J/mol×K	633.58	Joback Calculated Property
Cp,gas	383.37	J/mol×K	668.64	Joback Calculated Property
Cp,gas	394.77	J/mol×K	703.69	Joback Calculated Property
Cp,gas	405.38	J/mol×K	738.75	Joback Calculated Property
Cp,gas	415.22	J/mol×K	773.80	Joback Calculated Property
Cp,solid	263.60	J/mol×K	298.00	NIST
ΔfusH	[21.08; 21.08]	kJ/mol	[331.00; 331.00]
ΔfusH	21.08	kJ/mol	331.00	NIST
ΔfusH	21.08	kJ/mol	331.00	NIST
ΔfusH	21.08	kJ/mol	331.00	NIST
ΔfusS	63.70	J/mol×K	331.00	NIST

Similar Compounds

Find more compounds similar to Carbamic acid, phenyl-, propyl ester.

Sources

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

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